N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V013-7170 |
| Compound Name: | N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CC(C)N(Cc1cccn1Cc1cccc(C)c1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1135 |
| logD: | 5.1135 |
| logSw: | -5.0905 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.848 |
| InChI Key: | GWAQLINTOBYAFM-UHFFFAOYSA-N |