N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzenesulfonamide
N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzenesulfonamide
Compound characteristics
| Compound ID: | 5795-0029 |
| Compound Name: | N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzenesulfonamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(C(CNS(c2ccccc2)(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.1312 |
| logD: | 3.1295 |
| logSw: | -3.4291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.083 |
| InChI Key: | CUKHIGOTJZZNDP-UHFFFAOYSA-N |