AC1Q6U9E
1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine
Also Known As: ethyl 4-(methylsulfonyl)benzoate|KST-1B8609|2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-N,N-dimethyl-1-methylethylamine|1-({4-[3-(4-chlorophenyl)-4,5-dihydro-1h-pyrazol-1-yl]phenyl}sulfonyl)-n,n-dimethylpropan-2-amine|(1-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonyl}propan-2-yl)dimethylamine|1-[[4-[[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol]-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine|1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine|1-{4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}-N,N-dimethylpropan-2-amine|2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N,N-dimethyl-1-methylethylamine
| Molecular Formula | C20H24ClN3O2S |
|---|---|
| Molecular Weight | 405.12778 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.12778 |
| Monoisotopic Mass | 405.12778 |
| Heavy Atoms | 27 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 787-44-0 |
|---|---|
| SMILES | CC(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)N(C)C |
| InChIKey | YTUDQPCUGVTOBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1Q6U9E (CAS 787-44-0), with molecular formula C20H24ClN3O2S and molecular weight 405.12778 g/mol. IUPAC: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine.