TL;DR: Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride (CAS 113559-14-1) is a chemical compound with molecular formula C20H27Cl2N3O3S and molecular weight 459.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[1-(2-pyridin-4-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
Also Known As: Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride, 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(4-pyridyl)ethyl)piperidine dihydrochloride, N-(4-{1-[2-(Pyridin-4-yl)ethyl]piperidine-4-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/2), N-[4-[1-(2-pyridin-4-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride
| Molecular Formula | C20H27Cl2N3O3S |
| Molecular Weight | 459.11502 g/mol |
| XLogP | 3.4341 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.11502 Da |
| Heavy Atoms | 29 |
| Complexity | 568.0 |
| SMILES | CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=NC=C3.Cl.Cl |
| InChIKey | QXJRLLMHMWCCAJ-UHFFFAOYSA-N |
The XLogP value of 3.4341 indicates that Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride. Following Lipinski's Rule of Five, Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride has 3 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 Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride is 113559-14-1.
The molecular formula of Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride is C20H27Cl2N3O3S.
The molecular weight of Methanesulfonamide, N-(4-((1-(2-(4-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride is 459.11502 g/mol.
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