N-(4-{[4-(4-fluoroanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[4-(4-fluoroanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
N-(4-{[4-(4-fluoroanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2674 |
| Compound Name: | N-(4-{[4-(4-fluoroanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 573.66 |
| Molecular Formula: | C30 H24 F N3 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccc(C)cc1)(=O)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.069 |
| logD: | 6.0308 |
| logSw: | -5.5186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.641 |
| InChI Key: | UZHYGQIWZJKPBK-UHFFFAOYSA-N |