N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide
TL;DR: N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide (CAS 866151-88-4) is a chemical compound with molecular formula C13H11ClN2O4S and molecular weight 326.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-2-nitrobenzenesulfonamide
Also Known As: N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide, N-[(3-chlorophenyl)methyl]-2-nitrobenzene-1-sulfonamide, N-[(3-chlorophenyl)methyl]-2-nitrobenzenesulfonamide, N-[(3-chlorophenyl)methyl]-2-nitro-benzenesulfonamide
| Molecular Formula | C13H11ClN2O4S |
|---|---|
| Molecular Weight | 326.01 g/mol |
| LogP | 2.7267 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.01282 |
| Heavy Atoms | 21 |
| Complexity | 777.24567 |
Chemical Identifiers
| CAS Number | 866151-88-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC(=CC=C2)Cl |
Product Overview
N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide (CAS 866151-88-4), with molecular formula C13H11ClN2O4S and molecular weight 326.01 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide
Property Insights of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide
The XLogP value of 2.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-(3-chlorobenzyl)-2-nitrobenzenesulfonamide?
The CAS number of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide is 866151-88-4.
What is the molecular formula of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide is C13H11ClN2O4S.
What is the molecular weight of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide is 326.01 g/mol.
Where can I buy N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.