4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
TL;DR: 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (CAS 831211-22-4) is a chemical compound with molecular formula C17H20N2O4S3 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
Also Known As: 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide, 4-(methylsulfanyl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzenesulfonamide, 4-(METHYLSULFANYL)-N-[4-(PYRROLIDINE-1-SULFONYL)PHENYL]BENZENESULFONAMIDE
| Molecular Formula | C17H20N2O4S3 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 2.9938 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.05853 |
| Heavy Atoms | 26 |
| Complexity | 963.673 |
Chemical Identifiers
| CAS Number | 831211-22-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (CAS 831211-22-4), with molecular formula C17H20N2O4S3 and molecular weight 412.06 g/mol. IUPAC: 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.
Chemical Property Profile of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
Property Insights of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
The XLogP value of 2.9938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide has 1 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 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The CAS number of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is 831211-22-4.
What is the molecular formula of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The molecular formula of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is C17H20N2O4S3.
What is the molecular weight of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The molecular weight of 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is 412.06 g/mol.
Where can I buy 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
You can request a quote for 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.