N-[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Chemical Structure Depiction of
N-[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
N-[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Compound characteristics
| Compound ID: | V031-2723 |
| Compound Name: | N-[4-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide |
| Molecular Weight: | 613.61 |
| Molecular Formula: | C29 H19 F4 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | c1ccc(cc1)S(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.91 |
| logD: | 5.8717 |
| logSw: | -6.1613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.641 |
| InChI Key: | CJUCJSRWHUUJGB-UHFFFAOYSA-N |