TL;DR: 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride (CAS 1049719-65-4) is a chemical compound with molecular formula C17H19ClN2O2S and molecular weight 350.08557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3-phenylprop-2-ynylamino)ethyl]benzenesulfonamide;hydrochloride
Also Known As: 4-[2-(3-phenylprop-2-ynylamino)ethyl]benzenesulfonamide Hydrochloride, 4-(2-((3-phenylprop-2-yn-1-yl)amino)ethyl)benzenesulfonamide hydrochloride, 4-{2-[(3-phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride
| Molecular Formula | C17H19ClN2O2S |
| Molecular Weight | 350.08557 g/mol |
| XLogP | 1.9396 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.08557 Da |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
| SMILES | C1=CC=C(C=C1)C#CCNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl |
| InChIKey | HYEQNCZYXJSBDJ-UHFFFAOYSA-N |
The XLogP value of 1.9396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride. Following Lipinski's Rule of Five, 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride is 1049719-65-4.
The molecular formula of 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride is C17H19ClN2O2S.
The molecular weight of 4-{2-[(3-Phenyl-2-propyn-1-yl)amino]ethyl}benzenesulfonamide hydrochloride is 350.08557 g/mol.
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