TL;DR: 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CAS 724449-51-8) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.08664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
Also Known As: 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide, 2-chloro-N-{2-[4-(methylsulfonyl)-1-piperazinyl]phenyl}nicotinamide, AP-970/42895314, 2-chloro-N-(2-(4-(methylsulfonyl)piperazin-1-yl)phenyl)nicotinamide, 2-Chloro-N-[2-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-nicotinamide
| Molecular Formula | C17H19ClN4O3S |
| Molecular Weight | 394.08664 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.08664 Da |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(N=CC=C3)Cl |
| InChIKey | XXFDTYAYGQDKLM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide. Following Lipinski's Rule of Five, 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide 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 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is 724449-51-8.
The molecular formula of 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is C17H19ClN4O3S.
The molecular weight of 2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is 394.08664 g/mol.
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