TL;DR: Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester (CAS 116943-73-8) is a chemical compound with molecular formula C12H17ClN2O4S and molecular weight 320.05975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-methyl-N-(1-phenylethylsulfamoyl)carbamate
Also Known As: 2-Chloroethyl methyl(((1-phenylethyl)amino)sulfonyl)carbamate, Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(phenyl ethyl) sulfamide, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-(phenyl ethyl) sulfamide [French], 2-chloroethyl N-methyl-N-(1-phenylethylsulfamoyl)carbamate
| Molecular Formula | C12H17ClN2O4S |
| Molecular Weight | 320.05975 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.05975 Da |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
| SMILES | CC(C1=CC=CC=C1)NS(=O)(=O)N(C)C(=O)OCCCl |
| InChIKey | PSERXFBNQQLWHV-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester has 1 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, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is 116943-73-8.
The molecular formula of Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is C12H17ClN2O4S.
The molecular weight of Carbamic acid, methyl(((1-phenylethyl)amino)sulfonyl)-, 2-chloroethyl ester is 320.05975 g/mol.
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