N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2550 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 604.52 |
| Molecular Formula: | C26 H23 Br F N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NS(c1ccc(cc1)F)(=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0217 |
| logD: | 5.9629 |
| logSw: | -5.4235 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.524 |
| InChI Key: | RMXMCNZXNXYEPK-UHFFFAOYSA-N |