Molecule ID: 2808383

IUPAC Name: ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Description: The molecule is the ethyl ester of 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid. It is a member of pyrazoles, an organofluorine compound, a sulfonamide, a member of monochlorobenzenes and an ethyl ester.

SMILES: CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C(F)(F)F

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

InChI: InChI=1S/C19H15ClF3N3O4S/c1-2-30-18(27)16-11-24-26(17(16)19(21,22)23)14-7-5-13(6-8-14)25-31(28,29)15-9-3-12(20)4-10-15/h3-11,25H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: 4.2