2-cyano-N-(3-{[4-(3,4-dimethylanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-cyano-N-(3-{[4-(3,4-dimethylanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
2-cyano-N-(3-{[4-(3,4-dimethylanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2571 |
| Compound Name: | 2-cyano-N-(3-{[4-(3,4-dimethylanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 610.71 |
| Molecular Formula: | C32 H26 N4 O5 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(C1=O)c1ccc(cc1)OC)=O)Sc1cccc(c1)NS(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5134 |
| logD: | 5.4901 |
| logSw: | -5.462 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.241 |
| InChI Key: | MPNLVXLPJLHGLM-UHFFFAOYSA-N |