N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K831-0100 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 364.37 |
| Molecular Formula: | C16 H16 N2 O6 S |
| Smiles: | Cc1ccc(cc1S(NCC1COc2ccccc2O1)(=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.133 |
| logD: | 3.1325 |
| logSw: | -3.4519 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.058 |
| InChI Key: | MJQCEYJGVRZRMS-ZDUSSCGKSA-N |