TL;DR: 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide (CAS 1052416-07-5) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.12744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[(2-ethoxynaphthalen-1-yl)methylamino]ethyl]benzenesulfonamide;hydrochloride
Also Known As: 4-(2-{[(2-ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide, 4-[2-[(2-ethoxynaphthalen-1-yl)methylamino]ethyl]benzenesulfonamide Hydrochloride, 4-(2-(((2-ethoxynaphthalen-1-yl)methyl)amino)ethyl)benzenesulfonamide hydrochloride
| Molecular Formula | C21H25ClN2O3S |
| Molecular Weight | 420.12744 g/mol |
| XLogP | 3.64 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.12744 Da |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)CNCCC3=CC=C(C=C3)S(=O)(=O)N.Cl |
| InChIKey | NEZDRIAIHBEFBV-UHFFFAOYSA-N |
The XLogP value of 3.64 indicates that 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide is 1052416-07-5.
The molecular formula of 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide is C21H25ClN2O3S.
The molecular weight of 4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide is 420.12744 g/mol.
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