Molecule ID: 11707647

IUPAC Name: N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide

Description: The molecule is an N-sulfonylcarboxamide resulting from the formal condensation of the sulfonamide nitrogen of p-(cyclopropylaminocarbonyl)benzenesulfonamide with the carboxy group of O-methylsalicylic acid. It is a herbicide safener, used in conjunction with the Bayer herbicide tembotrione. It has a role as a herbicide safener. It is a N-sulfonylcarboxamide and a member of cyclopropanes. It derives from an O-methylsalicylic acid.

SMILES: COc1ccccc1C(O)=NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1

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

InChI: InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 2.1