N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-2,5-dimethoxybenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5708-0761 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 430.27 |
| Molecular Formula: | C16 H16 Br N O6 S |
| Smiles: | COc1cc(c(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2614 |
| logD: | 3.2613 |
| logSw: | -3.4668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.373 |
| InChI Key: | XCAGRCVEEZCJDN-UHFFFAOYSA-N |