![4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide structure](/static/products/7745/774553-73-0.webp)
4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide
TL;DR: 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide (CAS 774553-73-0) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylsulfanylphenyl)methylamino]benzenesulfonamide
Also Known As: 4-{[4-(methylsulfanyl)benzyl]amino}benzenesulfonamide, 4-[(4-methylsulfanylphenyl)methylamino]benzenesulfonamide, AN-465/42887914, 4-(4-Methylsulfanyl-benzylamino)-benzenesulfonamide
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.668 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 665.325 |
Chemical Identifiers
| CAS Number | 774553-73-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide (CAS 774553-73-0), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: 4-[(4-methylsulfanylphenyl)methylamino]benzenesulfonamide.
Chemical Property Profile of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide
Property Insights of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide
The XLogP value of 2.668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide. Following Lipinski's Rule of Five, 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide has 2 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 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide?
The CAS number of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide is 774553-73-0.
What is the molecular formula of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide?
The molecular formula of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide is C14H16N2O2S2.
What is the molecular weight of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide?
The molecular weight of 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide is 308.07 g/mol.
Where can I buy 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide?
You can request a quote for 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Methylsulfanyl)benzyl]amino}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.