TL;DR: Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride (CAS 143780-43-2) is a chemical compound with molecular formula C30H39Cl2F2N3O3S and molecular weight 629.20575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylmethanesulfonamide;dihydrochloride
Also Known As: Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride, N-(3-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)-N-phenylmethanesulfonamide--hydrogen chloride (1/2), N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylmethanesulfonamide dihydrochloride
| Molecular Formula | C30H39Cl2F2N3O3S |
| Molecular Weight | 629.20575 g/mol |
| XLogP | 5.1652 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.20575 Da |
| Heavy Atoms | 41 |
| Complexity | 777.0 |
| SMILES | CS(=O)(=O)N(CC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | UVNLZIRBRNFQPR-UHFFFAOYSA-N |
The XLogP value of 5.1652 indicates that Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride. Following Lipinski's Rule of Five, Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride is 143780-43-2.
The molecular formula of Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride is C30H39Cl2F2N3O3S.
The molecular weight of Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, dihydrochloride is 629.20575 g/mol.
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