2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0012 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2-fluoroanilino)prop-2-enenitrile |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C22 H16 Cl F N2 O2 S2 |
| Smiles: | C(c1ccccc1[Cl])SC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.6932 |
| logD: | 5.6698 |
| logSw: | -6.0121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | CNEKQSMQRSDLMC-UHFFFAOYSA-N |