N-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-3-nitrobenzene-1-sulfonamide
N-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y501-4111 |
| Compound Name: | N-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C12 H14 N4 O4 S |
| Smiles: | CN(Cc1ccnn1C)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0851 |
| logD: | 1.0851 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.315 |
| InChI Key: | QJLPHTHBAMDCQJ-UHFFFAOYSA-N |