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CHEBI:81925 - fomesafen

Default Structure
ChEBI IDCHEBI:81925
ChEBI Namefomesafen
Stars
DefinitionAn N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya.
Last Modified11 August 2017
DownloadsMolfile
FormulaC15H10ClF3N2O6S
Net Charge0
Average Mass438.767
Monoisotopic Mass437.99002
SMILESCS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
InChIKeyBGZZWXTVIYUUEY-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
fomesafen (CHEBI:81925) has role agrochemical (CHEBI:33286)
fomesafen (CHEBI:81925) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
fomesafen (CHEBI:81925) has role herbicide (CHEBI:24527)
fomesafen (CHEBI:81925) is a C-nitro compound (CHEBI:35716)
fomesafen (CHEBI:81925) is a N-sulfonylcarboxamide (CHEBI:90852)
fomesafen (CHEBI:81925) is a aromatic ether (CHEBI:35618)
fomesafen (CHEBI:81925) is a monochlorobenzenes (CHEBI:83403)
fomesafen (CHEBI:81925) is a organofluorine compound (CHEBI:37143)
fomesafen (CHEBI:81925) is a phenols (CHEBI:33853)
fomesafen (CHEBI:81925) is conjugate acid of fomesafen(1−) (CHEBI:138163)
Incoming Relation(s)
fomesafen(1−) (CHEBI:138163) is conjugate base of fomesafen (CHEBI:81925)
IUPAC Name 
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide
Synonyms  Source
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamideChEBI
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamideAlan Wood's Pesticides
5-(2-chloro-α,α,α-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamideAlan Wood's Pesticides
fomésafèneChEBI
Manual XrefsDatabases
355PPDB
C18736KEGG COMPOUND
fomesafenAlan Wood's Pesticides
Registry NumbersSources
Reaxys:8165046Reaxys
CAS:72178-02-0ChemIDplus
CAS:72178-02-0Alan Wood's Pesticides
CAS:72178-02-0KEGG COMPOUND
Citations