Molecule ID: 86304

IUPAC Name: 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid

Description: The molecule is an N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. It has a role as a herbicide. It is a N-sulfonylurea, a member of benzoic acids, an aromatic ether and a diamino-1,3,5-triazine.

SMILES: CCOc1nc(=NC)nc(N=C(O)NS(=O)(=O)c2ccccc2C(=O)O)[nH]1

SELFIES: [C][C][O][C][=N][C][=Branch1][Ring1][=N][C][N][=C][Branch2][Ring1][O][N][=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][NH1][Ring2][Ring1][Branch2]

InChI: InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)

Molecular Properties:
- Polar Surface Area: 181.0 Ų
- LogP: 1.5