N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide
TL;DR: N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide (CAS 834-65-1) is a chemical compound with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-4-methyl-N-nitrosobenzenesulfonamide
Also Known As: N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide, p-Toluenesulfonamide, N-(2-chloroethyl)-N-nitroso-, 1-(3-chlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine, N-(2-chloroethyl)-4-methyl-N-nitrosobenzenesulfonamide, N-(2-Chloroethyl)-N-nitroso-p-toluenesulphonamide
| Molecular Formula | C9H11ClN2O3S |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.01788 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 834-65-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)N=O |
| InChIKey | MXKIEKHOTITTDH-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide (CAS 834-65-1), with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol. IUPAC: N-(2-chloroethyl)-4-methyl-N-nitrosobenzenesulfonamide.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide
Property Insights of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide?
The CAS number of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide is 834-65-1.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide is C9H11ClN2O3S.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide is 262.02 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.