N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2760 |
| Compound Name: | N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 591.66 |
| Molecular Formula: | C30 H23 F2 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0965 |
| logD: | 6.0377 |
| logSw: | -5.4856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.641 |
| InChI Key: | COIAETJSYIGQPK-UHFFFAOYSA-N |