N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide--hydrogen chloride (1/1)
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4013-2800 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-nitrophenyl)benzene-1-sulfonamide--hydrogen chloride (1/1) |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(N(CC(Cn1c(C)cc(C)n1)O)c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6134 |
| logD: | 2.6134 |
| logSw: | -2.6584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.8 |
| InChI Key: | BFIDVORLIZMSLB-HXUWFJFHSA-N |