N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylbenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3003-0967 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C16 H17 N O4 S |
| Smiles: | Cc1ccc(cc1C)S(NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.736 |
| logD: | 3.7359 |
| logSw: | -3.8738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.112 |
| InChI Key: | RQTWBPULGVBCGN-UHFFFAOYSA-N |