2-(benzenesulfonyl)-3-(3-chloroanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(3-chloroanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(3-chloroanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0318 |
| Compound Name: | 2-(benzenesulfonyl)-3-(3-chloroanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C22 H16 Cl F N2 O2 S2 |
| Smiles: | C(c1cccc(c1)F)SC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8706 |
| logD: | 5.8374 |
| logSw: | -6.1185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | CSAFKMRRNKTYTM-UHFFFAOYSA-N |