N-[3-({1-(4-fluorophenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Chemical Structure Depiction of
N-[3-({1-(4-fluorophenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
N-[3-({1-(4-fluorophenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Compound characteristics
| Compound ID: | V031-2725 |
| Compound Name: | N-[3-({1-(4-fluorophenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide |
| Molecular Weight: | 587.69 |
| Molecular Formula: | C31 H26 F N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2331 |
| logD: | 6.2099 |
| logSw: | -5.5437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.641 |
| InChI Key: | QVLKTAHXUJKXEL-UHFFFAOYSA-N |