4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(4-nitrobenzene-1-sulfonyl)-1H-pyrazole
Chemical Structure Depiction of
4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(4-nitrobenzene-1-sulfonyl)-1H-pyrazole
4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(4-nitrobenzene-1-sulfonyl)-1H-pyrazole
Compound characteristics
| Compound ID: | 3335-0178 |
| Compound Name: | 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(4-nitrobenzene-1-sulfonyl)-1H-pyrazole |
| Molecular Weight: | 423.89 |
| Molecular Formula: | C17 H14 Cl N3 O4 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2344 |
| logD: | 4.2344 |
| logSw: | -4.5715 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.969 |
| InChI Key: | JFEIJZLPYJUPMQ-UHFFFAOYSA-N |