N-(3-{[4-anilino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-anilino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzene-1-sulfonamide
N-(3-{[4-anilino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzene-1-sulfonamide
Compound characteristics
Compound ID: | V031-2536 |
Compound Name: | N-(3-{[4-anilino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzene-1-sulfonamide |
Molecular Weight: | 592.09 |
Molecular Formula: | C29 H22 Cl N3 O5 S2 |
Salt: | not_available |
Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1cccc(c1)NS(c1ccc(cc1)[Cl])(=O)=O)Nc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.4363 |
logD: | 5.3775 |
logSw: | -5.96 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.185 |
InChI Key: | RJWWAUDQNUTZMQ-UHFFFAOYSA-N |