2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate
TL;DR: 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate (CAS 116943-71-6) is a chemical compound with molecular formula C12H14ClN3O4S and molecular weight 331.03937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-[(2-cyanophenyl)-methylsulfamoyl]-N-methylcarbamate
Also Known As: 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate, Carbamic acid, (((2-cyanophenyl)methylamino)sulfonyl)methyl-, 2-chloroethyl ester, N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(cyano-2 phenyl) sulfamide [French], N-Methyl N-(chloro-2 ethoxycarbonyl) N'-methyl N'-(cyano-2 phenyl) sulfamide, 2-Chloroethyl [(2-cyanophenyl)(methyl)sulfamoyl](methyl)carbamate
Technical Specifications
| Molecular Formula | C12H14ClN3O4S |
| Molecular Weight | 331.03937 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.03937 Da |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
| SMILES | CN(C1=CC=CC=C1C#N)S(=O)(=O)N(C)C(=O)OCCCl |
| InChIKey | CFWURRABWWXPHB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate
Property Insights of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate. Following Lipinski's Rule of Five, 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate has 0 hydrogen bond donor(s) and 6 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 (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate?
The CAS number of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate is 116943-71-6.
What is the molecular formula of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate?
The molecular formula of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate is C12H14ClN3O4S.
What is the molecular weight of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate?
The molecular weight of 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate is 331.03937 g/mol.
Where can I buy 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate?
You can request a quote for 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl (((2-cyanophenyl)methylamino)sulfonyl)methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.