TL;DR: Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester (CAS 116943-54-5) is a chemical compound with molecular formula C11H15ClN2O4S and molecular weight 306.0441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-(1-phenylethylsulfamoyl)carbamate
Also Known As: 2-Chloroethyl (((1-phenylethyl)amino)sulfonyl)carbamate, 2-chloroethyl N-(1-phenylethylsulfamoyl)carbamate, Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester, N-(Chloro-2 ethoxycarbonyl) N'-(alpha-phenyl ethyl) sulfamide, N-(Chloro-2 ethoxycarbonyl) N'-(alpha-phenyl ethyl) sulfamide [French]
| Molecular Formula | C11H15ClN2O4S |
| Molecular Weight | 306.0441 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.0441 Da |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
| SMILES | CC(C1=CC=CC=C1)NS(=O)(=O)NC(=O)OCCCl |
| InChIKey | KGLTWBYGXAFDMI-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester has 2 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 Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is 116943-54-5.
The molecular formula of Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is C11H15ClN2O4S.
The molecular weight of Carbamic acid, (((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is 306.0441 g/mol.
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