Molecule ID: 187764

IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonic acid

Description: The molecule is a sulfonamide that is aminomethanesulfonic acid in which a hydrogen attached to the carbon has been replaced by a 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl group and in which a hydrogen attached to the amino group has been replaced by a p-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl group. It is a sulfonamide, an aromatic ether, a member of pyridazines, an amino sulfonic acid and a pyrazolone.

SMILES: COc1ccc(NS(=O)(=O)c2ccc(NC(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)O)cc2)nn1

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

InChI: InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: 1.6