1-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-2-chloroethan-1-one
Chemical Structure Depiction of
1-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-2-chloroethan-1-one
1-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-2-chloroethan-1-one
Compound characteristics
| Compound ID: | C201-0120 |
| Compound Name: | 1-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]-2-chloroethan-1-one |
| Molecular Weight: | 345.82 |
| Molecular Formula: | C12 H12 Cl N3 O3 S2 |
| Smiles: | CSc1c(c(N)n(C(C[Cl])=O)n1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9327 |
| logD: | 0.9327 |
| logSw: | -2.1047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.903 |
| InChI Key: | ZSQOWCPPPPZNJD-UHFFFAOYSA-N |