4-fluoro-N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-fluoro-N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
4-fluoro-N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2513 |
| Compound Name: | 4-fluoro-N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 619.69 |
| Molecular Formula: | C31 H26 F N3 O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)N1C(C(=C(C1=O)Sc1cccc(c1)NS(c1ccc(cc1)F)(=O)=O)Nc1ccc(cc1)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4504 |
| logD: | 5.3916 |
| logSw: | -5.4924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.514 |
| InChI Key: | JEBUYACPWLWPEJ-UHFFFAOYSA-N |