N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzene-1-sulfonamide
N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 0364-0029 |
| Compound Name: | N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C16 H22 N2 O7 S |
| Smiles: | CN(C1CC(CCC1O)C1OCCO1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3706 |
| logD: | 1.3706 |
| logSw: | -2.3562 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.137 |
| InChI Key: | BSRUBEMAYVLSKA-UHFFFAOYSA-N |