Molecule ID: 91772

IUPAC Name: 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoic acid

Description: The molecule is an N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant. It has a role as a herbicide. It is a N-sulfonylurea, a methoxy-1,3,5-triazine and a member of benzoic acids.

SMILES: COc1nc(C)nc(N(C)C(O)=NS(=O)(=O)c2ccccc2C(=O)O)n1

SELFIES: [C][O][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][=C][N][Branch1][C][C][C][Branch1][C][O][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=N][Ring2][Ring1][Branch2]

InChI: InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)

Molecular Properties:
- Polar Surface Area: 160.0 Ų
- LogP: 0.9