[1-(4-chlorobenzene-1-sulfonyl)pyrrolidin-2-yl]{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Chemical Structure Depiction of
[1-(4-chlorobenzene-1-sulfonyl)pyrrolidin-2-yl]{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
[1-(4-chlorobenzene-1-sulfonyl)pyrrolidin-2-yl]{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Compound characteristics
| Compound ID: | 3335-0287 |
| Compound Name: | [1-(4-chlorobenzene-1-sulfonyl)pyrrolidin-2-yl]{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone |
| Molecular Weight: | 521.01 |
| Molecular Formula: | C22 H21 Cl N4 O5 S2 |
| Smiles: | Cc1c(c(C)n(C(C2CCCN2S(c2ccc(cc2)[Cl])(=O)=O)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7518 |
| logD: | 3.7518 |
| logSw: | -4.2644 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.51 |
| InChI Key: | CQDGVJPPNFWABL-FQEVSTJZSA-N |