2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate
TL;DR: 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate (CAS 116943-70-5) is a chemical compound with molecular formula C11H14ClN3O6S and molecular weight 351.02917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-methyl-N-[methyl-(3-nitrophenyl)sulfamoyl]carbamate
Also Known As: 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate, Carbamic acid, methyl((methyl(3-nitrophenyl)amino)sulfonyl)-, 2-chloroethyl ester, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(nitro-3 phenyl) sulfamide [French], N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(nitro-3 phenyl) sulfamide, 2-Chloroethyl methyl[methyl(3-nitrophenyl)sulfamoyl]carbamate
Technical Specifications
| Molecular Formula | C11H14ClN3O6S |
| Molecular Weight | 351.02917 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.02917 Da |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
| SMILES | CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)N(C)C(=O)OCCCl |
| InChIKey | BOIPHOFOESDIGW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate
Property Insights of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate. Following Lipinski's Rule of Five, 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate?
The CAS number of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate is 116943-70-5.
What is the molecular formula of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate?
The molecular formula of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate is C11H14ClN3O6S.
What is the molecular weight of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate?
The molecular weight of 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate is 351.02917 g/mol.
Where can I buy 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate?
You can request a quote for 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl methyl((methyl(3-nitrophenyl)amino)sulfonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.