N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
Chemical Structure Depiction of
N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | V030-2366 |
| Compound Name: | N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C29 H22 F N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1cccc(c1)NS(c1ccccc1)(=O)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8773 |
| logD: | 4.854 |
| logSw: | -4.6482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.185 |
| InChI Key: | ATVUSJAQZKOMMB-UHFFFAOYSA-N |