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N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide
TL;DR: N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide (CAS 718600-43-2) is a chemical compound with molecular formula C15H16N2O4S2 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide
Also Known As: N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide, N-{2-[(4-methylphenyl)sulfanyl]ethyl}-4-nitrobenzenesulfonamide
| Molecular Formula | C15H16N2O4S2 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.97382 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.05515 |
| Heavy Atoms | 23 |
| Complexity | 772.1291 |
Chemical Identifiers
| CAS Number | 718600-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide (CAS 718600-43-2), with molecular formula C15H16N2O4S2 and molecular weight 352.06 g/mol. IUPAC: N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide
Property Insights of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide
The XLogP value of 2.97382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide 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 N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide?
The CAS number of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide is 718600-43-2.
What is the molecular formula of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide?
The molecular formula of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide is C15H16N2O4S2.
What is the molecular weight of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide?
The molecular weight of N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide is 352.06 g/mol.
Where can I buy N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide?
You can request a quote for N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide 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-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-methylphenyl)sulfanylethyl]-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.