Molecule ID: 22235201

IUPAC Name: 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid

Description: The molecule is a sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid with the amino group of 2-amino-3-chlorobenzoic acid. The methyl ester of cloransulam, generally known as cloransulam-methyl, is used as a herbicide for the control of post-emergence control of broad-leaved weeds in soybeans. It has a role as a herbicide. It is a monocarboxylic acid, a sulfonamide, an aromatic ether, an organofluorine compound, a member of monochlorobenzenes and a member of triazolopyrimidines.

SMILES: CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn12

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

InChI: InChI=1S/C14H11ClFN5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: 2.8