N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-cyanobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-cyanobenzene-1-sulfonamide
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-cyanobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2512 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-cyanobenzene-1-sulfonamide |
| Molecular Weight: | 631.53 |
| Molecular Formula: | C29 H19 Br N4 O4 S2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1S(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(cc1)[Br])(=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 5.256 |
| logD: | 5.2327 |
| logSw: | -5.3675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.697 |
| InChI Key: | HXFUYKLWYCEQGZ-UHFFFAOYSA-N |