N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8011-5240 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C15 H14 N2 O6 S |
| Smiles: | Cc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1084 |
| logD: | 3.1082 |
| logSw: | -3.4198 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.494 |
| InChI Key: | KLBRWFJFRLHQNM-UHFFFAOYSA-N |