N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide
TL;DR: N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide (CAS 540518-11-4) is a chemical compound with molecular formula C14H14ClNO4S2 and molecular weight 359.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-chloro-5-methylsulfonylbenzenesulfonamide
Also Known As: N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide, N-benzyl-2-chloro-5-methylsulfonylbenzenesulfonamide, AO-080/42479488, {[2-chloro-5-(methylsulfonyl)phenyl]sulfonyl}benzylamine
| Molecular Formula | C14H14ClNO4S2 |
|---|---|
| Molecular Weight | 359.01 g/mol |
| LogP | 2.222 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.00528 |
| Heavy Atoms | 22 |
| Complexity | 878.3138 |
Chemical Identifiers
| CAS Number | 540518-11-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide (CAS 540518-11-4), with molecular formula C14H14ClNO4S2 and molecular weight 359.01 g/mol. IUPAC: N-benzyl-2-chloro-5-methylsulfonylbenzenesulfonamide.
Chemical Property Profile of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide
Property Insights of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide
The XLogP value of 2.222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide 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-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide?
The CAS number of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide is 540518-11-4.
What is the molecular formula of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide?
The molecular formula of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide is C14H14ClNO4S2.
What is the molecular weight of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide?
The molecular weight of N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide is 359.01 g/mol.
Where can I buy N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide?
You can request a quote for N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.