N-{1-[(3-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(3-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
N-{1-[(3-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-7431 |
| Compound Name: | N-{1-[(3-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 408.82 |
| Molecular Formula: | C16 H13 Cl N4 O5 S |
| Smiles: | C(n1cc(cn1)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)Oc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5287 |
| logD: | 0.9668 |
| logSw: | -3.6943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.75 |
| InChI Key: | AHXPIPNTIYUGNW-UHFFFAOYSA-N |