4-chloro-N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzene-1-sulfonamide
4-chloro-N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3339-1346 |
| Compound Name: | 4-chloro-N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)benzene-1-sulfonamide |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C20 H20 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(C(CNS(c2ccc(cc2)[Cl])(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.911 |
| logD: | 3.9093 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.083 |
| InChI Key: | GVIBGHAXQBFBQN-UHFFFAOYSA-N |