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N-[3-(methylsulfanyl)phenyl]benzenesulfonamide
TL;DR: N-[3-(methylsulfanyl)phenyl]benzenesulfonamide (CAS 528576-23-0) is a chemical compound with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylsulfanylphenyl)benzenesulfonamide
Also Known As: N-[3-(methylsulfanyl)phenyl]benzenesulfonamide, N-(3-methylsulfanylphenyl)benzenesulfonamide, N-[3-(methylthio)phenyl]benzenesulfonamide, AN-652/41306247, Cambridge id 7211812
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.2093 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 624.44934 |
Chemical Identifiers
| CAS Number | 528576-23-0 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
N-[3-(methylsulfanyl)phenyl]benzenesulfonamide (CAS 528576-23-0), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: N-(3-methylsulfanylphenyl)benzenesulfonamide.
Chemical Property Profile of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide
Property Insights of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide
The XLogP value of 3.2093 indicates that N-[3-(methylsulfanyl)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, N-[3-(methylsulfanyl)phenyl]benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(methylsulfanyl)phenyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 3 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-(methylsulfanyl)phenyl]benzenesulfonamide?
The CAS number of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide is 528576-23-0.
What is the molecular formula of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide?
The molecular formula of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide is C13H13NO2S2.
What is the molecular weight of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide?
The molecular weight of N-[3-(methylsulfanyl)phenyl]benzenesulfonamide is 279.04 g/mol.
Where can I buy N-[3-(methylsulfanyl)phenyl]benzenesulfonamide?
You can request a quote for N-[3-(methylsulfanyl)phenyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(methylsulfanyl)phenyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(methylsulfanyl)phenyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.