N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2574 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 586.53 |
| Molecular Formula: | C26 H24 Br N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccc(C)cc1)(=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9795 |
| logD: | 5.9264 |
| logSw: | -5.4938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.245 |
| InChI Key: | GQHTVFMSZPGHDH-UHFFFAOYSA-N |