Record Information |
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Version | 2.0 |
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Creation Date | 2013-04-25 07:56:51 UTC |
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Update Date | 2014-12-24 20:26:33 UTC |
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Accession Number | T3D3845 |
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Identification |
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Common Name | Flumetsulam |
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Class | Small Molecule |
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Description | Flumetsulam is a sulfonanilide herbicide that is used for post-emergence control for undersown wheat and certain legume crops and pastures. |
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Compound Type | - Amide
- Herbicide
- Organic Compound
- Organofluoride
- Pesticide
- Synthetic Compound
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Chemical Structure | |
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Synonyms | Synonym | Broadstrike | N-(2,6-Difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide | N-(2,6-Difluorophenyl)-5-methyl[1,2,4]triazolo-[1,5-a]pyrimidine-2-sulfonamide | N-(2,6-Difluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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Chemical Formula | C12H9F2N5O2S |
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Average Molecular Mass | 325.294 g/mol |
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Monoisotopic Mass | 325.045 g/mol |
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CAS Registry Number | 98967-40-9 |
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IUPAC Name | N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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Traditional Name | N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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SMILES | CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F |
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InChI Identifier | InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3 |
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InChI Key | InChIKey=RXCPQSJAVKGONC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1,2,4-triazolopyrimidine-2-sulfonanilides. These are polycyclic aromatic compounds containing a 1,2,4-triazolo[1,5-a]pyrimidine ring system, which is substituted with a sulfonanilide at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Triazolopyrimidines |
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Sub Class | 1,2,4-triazolopyrimidine-2-sulfonamides |
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Direct Parent | 1,2,4-triazolopyrimidine-2-sulfonanilides |
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Alternative Parents | |
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Substituents | - 1,2,4-triazolopyrimidine-2-sulfonanilide
- Sulfanilide
- Halobenzene
- Fluorobenzene
- Pyrimidine
- Aryl fluoride
- Organosulfonic acid amide
- Benzenoid
- Aryl halide
- Monocyclic benzene moiety
- 1,2,4-triazole
- Triazole
- Aminosulfonyl compound
- Organosulfonic acid or derivatives
- Organic sulfonic acid or derivatives
- Heteroaromatic compound
- Azole
- Sulfonyl
- Azacycle
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organosulfur compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Exogenous |
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Cellular Locations | |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Solid |
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Appearance | White powder. |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available | LogP | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | Deposition Date | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0109000000-1acfb433a6cbb356b9fa | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004l-0902000000-2b2befb6c154013b9ff7 | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-5900000000-f942b5059536cd8fcc93 | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0309000000-68074fb6f654cca3a8e5 | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-7d3062aa06fd3a1cbac9 | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-0900000000-e81067d1fe60c7bbd557 | 2016-08-03 | View Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
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Uses/Sources | This is a man-made compound that is used as a pesticide. |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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PubChem Compound ID | 91759 |
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ChEMBL ID | CHEMBL1389671 |
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ChemSpider ID | 82857 |
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KEGG ID | C18852 |
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UniProt ID | Not Available |
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OMIM ID | |
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ChEBI ID | Not Available |
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BioCyc ID | Not Available |
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CTD ID | Not Available |
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Stitch ID | Not Available |
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PDB ID | Not Available |
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ACToR ID | Not Available |
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Wikipedia Link | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | T3D3845.pdf |
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General References | Not Available |
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Gene Regulation |
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Up-Regulated Genes | Not Available |
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Down-Regulated Genes | Not Available |
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