TL;DR: 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine (CAS 1025724-67-7) is a chemical compound with molecular formula C21H19ClF3N3O2S and molecular weight 469.08386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
Also Known As: 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine, 6X-0260, 1-(4-chlorophenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine, 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-2H-pyrazol-3-yl}piperidine, 1-[(4-Chlorophenyl)sulfonyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]piperidine
| Molecular Formula | C21H19ClF3N3O2S |
| Molecular Weight | 469.08386 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.08386 Da |
| Heavy Atoms | 31 |
| Complexity | 702.0 |
| SMILES | C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl |
| InChIKey | HDUMHBFIXDMBQJ-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine. Following Lipinski's Rule of Five, 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine is 1025724-67-7.
The molecular formula of 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine is C21H19ClF3N3O2S.
The molecular weight of 1-(4-chlorobenzenesulfonyl)-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine is 469.08386 g/mol.
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