tritosulfuron (CHEBI:83500)

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ChEBI Name	tritosulfuron

ChEBI ID	CHEBI:83500

Definition	A sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C13H9F6N5O4S

Net Charge

Average Mass

445.29700

Monoisotopic Mass

445.02794

InChI

InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)

InChIKey

KVEQCVKVIFQSGC-UHFFFAOYSA-N

SMILES

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	tritosulfuron (CHEBI:83500) has role environmental contaminant (CHEBI:78298) tritosulfuron (CHEBI:83500) has role herbicide (CHEBI:24527) tritosulfuron (CHEBI:83500) has role xenobiotic (CHEBI:35703) tritosulfuron (CHEBI:83500) is a (trifluoromethyl)benzenes (CHEBI:83565) tritosulfuron (CHEBI:83500) is a N-sulfonylurea (CHEBI:76983) tritosulfuron (CHEBI:83500) is a methoxy-1,3,5-triazine (CHEBI:38177)

IUPAC Name

N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide

Synonym	Source
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea	ChEBI

Last Modified

14 March 2024