2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide
TL;DR: 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide (CAS 540517-91-7) is a chemical compound with molecular formula C9H12ClNO4S2 and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide
Also Known As: 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide, 2-chloro-N-ethyl-5-(methylsulfonyl)benzenesulfonamide, 2-chloro-N-ethyl-5-mesyl-benzenesulfonamide, AO-080/42479544, {[2-chloro-5-(methylsulfonyl)phenyl]sulfonyl}ethylamine
| Molecular Formula | C9H12ClNO4S2 |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 1.0417 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.98962 |
| Heavy Atoms | 17 |
| Complexity | 622.396 |
Chemical Identifiers
| CAS Number | 540517-91-7 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl |
Product Overview
2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide (CAS 540517-91-7), with molecular formula C9H12ClNO4S2 and molecular weight 296.99 g/mol. IUPAC: 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide.
Chemical Property Profile of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide
Property Insights of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide
The XLogP value of 1.0417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide. Following Lipinski's Rule of Five, 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide 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 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The CAS number of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide is 540517-91-7.
What is the molecular formula of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The molecular formula of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide is C9H12ClNO4S2.
What is the molecular weight of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The molecular weight of 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide is 296.99 g/mol.
Where can I buy 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide?
You can request a quote for 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-ethyl-5-methylsulfonylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.