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N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide
TL;DR: N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide (CAS 477864-68-9) is a chemical compound with molecular formula C12H18ClNO2S2 and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]methanesulfonamide
Also Known As: N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide, N-(2-{[(4-chlorophenyl)methyl]sulfanyl}-2-methylpropyl)methanesulfonamide, N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]methanesulfonamide, N-{2-(4-Chlorobenzyl)sulfanyl-2-methylpropyl}methanesulfonamide, N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-propyl]methanesulfonamide
| Molecular Formula | C12H18ClNO2S2 |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.901 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.04675 |
| Heavy Atoms | 18 |
| Complexity | 483.3038 |
Chemical Identifiers
| CAS Number | 477864-68-9 |
|---|---|
| SMILES | CC(C)(CNS(=O)(=O)C)SCC1=CC=C(C=C1)Cl |
Product Overview
N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide (CAS 477864-68-9), with molecular formula C12H18ClNO2S2 and molecular weight 307.05 g/mol. IUPAC: N-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]methanesulfonamide.
Chemical Property Profile of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide
Property Insights of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide
The XLogP value of 2.901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide 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-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide?
The CAS number of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide is 477864-68-9.
What is the molecular formula of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide?
The molecular formula of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide is C12H18ClNO2S2.
What is the molecular weight of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide?
The molecular weight of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide is 307.05 g/mol.
Where can I buy N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide?
You can request a quote for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.