4-(4-chloro-2-methylbenzene-1-sulfonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Chemical Structure Depiction of
4-(4-chloro-2-methylbenzene-1-sulfonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
4-(4-chloro-2-methylbenzene-1-sulfonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0051 |
| Compound Name: | 4-(4-chloro-2-methylbenzene-1-sulfonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide |
| Molecular Weight: | 486.9 |
| Molecular Formula: | C20 H18 Cl F3 N4 O3 S |
| Smiles: | Cc1cc(ccc1S(N1CCN(C(C1)C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.31 |
| logD: | 3.31 |
| logSw: | -3.7418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.952 |
| InChI Key: | WTEOIJVKZFHFHN-KRWDZBQOSA-N |