N-{4-[2-nitro-4-(trifluoromethyl)anilino]butyl}benzenesulfonamide
Chemical Structure Depiction of
N-{4-[2-nitro-4-(trifluoromethyl)anilino]butyl}benzenesulfonamide
N-{4-[2-nitro-4-(trifluoromethyl)anilino]butyl}benzenesulfonamide
Compound characteristics
| Compound ID: | 8011-1129 |
| Compound Name: | N-{4-[2-nitro-4-(trifluoromethyl)anilino]butyl}benzenesulfonamide |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C17 H18 F3 N3 O4 S |
| Smiles: | C(CCNS(c1ccccc1)(=O)=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8835 |
| logD: | 3.8834 |
| logSw: | -4.2483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.569 |
| InChI Key: | ONGBHUNASFGWEA-UHFFFAOYSA-N |