TL;DR: Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester (CAS 116943-72-7) 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-[benzyl(methyl)sulfamoyl]-N-methylcarbamate
Also Known As: 2-Chloroethyl methyl((methyl(phenylmethyl)amino)sulfonyl)carbamate, Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(benzyl) sulfamide [French], N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(benzyl) sulfamide, 2-chloroethyl N-[benzyl(methyl)sulfamoyl]-N-methylcarbamate
| Molecular Formula | C12H17ClN2O4S |
| Molecular Weight | 320.05975 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.05975 Da |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(=O)OCCCl |
| InChIKey | ZAXOZWHJGXRKKM-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester has 0 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((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester is 116943-72-7.
The molecular formula of Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester is C12H17ClN2O4S.
The molecular weight of Carbamic acid, methyl((methyl(phenylmethyl)amino)sulfonyl)-, 2-chloroethyl ester is 320.05975 g/mol.
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