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N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide
TL;DR: N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide (CAS 528533-56-4) is a chemical compound with molecular formula C16H19NO2S2 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzenesulfonamide
Also Known As: N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide, N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzenesulfonamide, N-(2-{[(2-METHYLPHENYL)METHYL]SULFANYL}ETHYL)BENZENESULFONAMIDE
| Molecular Formula | C16H19NO2S2 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 3.20672 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.08572 |
| Heavy Atoms | 21 |
| Complexity | 669.68616 |
Chemical Identifiers
| CAS Number | 528533-56-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCCNS(=O)(=O)C2=CC=CC=C2 |
Product Overview
N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide (CAS 528533-56-4), with molecular formula C16H19NO2S2 and molecular weight 321.09 g/mol. IUPAC: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzenesulfonamide.
Chemical Property Profile of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide
Property Insights of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide
The XLogP value of 3.20672 indicates that N-{2-[(2-methylbenzyl)sulfanyl]ethyl}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-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(2-methylbenzyl)sulfanyl]ethyl}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-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide?
The CAS number of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide is 528533-56-4.
What is the molecular formula of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide?
The molecular formula of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide is C16H19NO2S2.
What is the molecular weight of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide?
The molecular weight of N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide is 321.09 g/mol.
Where can I buy N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide?
You can request a quote for N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(2-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.