TL;DR: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (CAS 1005636-22-5) is a chemical compound with molecular formula C16H12ClF2N3O2S and molecular weight 383.03067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
Also Known As: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide, N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide, N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-4-fluoro-benzenesulfonamide, N~1~-[1-(2-CHLORO-4-FLUOROBENZYL)-1H-PYRAZOL-4-YL]-4-FLUORO-1-BENZENESULFONAMIDE
| Molecular Formula | C16H12ClF2N3O2S |
| Molecular Weight | 383.03067 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.03067 Da |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl |
| InChIKey | ZZAOARLKFAPZCB-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is 1005636-22-5.
The molecular formula of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is C16H12ClF2N3O2S.
The molecular weight of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is 383.03067 g/mol.
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