Molecular Identity
Fomesafen
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
PubChem CID: 51556
Fomesafen is an 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. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of phenols, an aromatic ether, a C-nitro compound, an organofluorine compound, a member of monochlorobenzenes and a N-sulfonylcarboxamide. It is a conjugate acid of a fomesafen(1-).
2D Structure
Properties
C15H10ClF3N2O6S
Molecular Formula
438.80
Molecular Weight
g/mol
437.9900
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]Isomeric SMILES
SMILES: CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]Synonyms(20)
Fomesafen72178-02-0Fomesafene5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamideDTXSID7024112M0A3U4CDTFPP0215-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamideDTXCID704112CHEBI:81925BENZAMIDE, 5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-N-(METHYLSULFONYL)-2-NITRO-5-(2-chloro-4-(trifluoromethyl)-phenoxy)-N-(methylsulfonyl)-2-nitrobenzamideRefChem:141141Reflex
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fomesafen
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