N-Ethyl-p-toluenesulfonamide
TL;DR: N-Ethyl-p-toluenesulfonamide (CAS 80-39-7) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-methylbenzenesulfonamide
Also Known As: N-Ethyl-4-methylbenzenesulfonamide, N-ETHYL-P-TOLUENESULFONAMIDE, Santicizer 3, Ethyl tosylamide, N-Tosylethylamine
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
| Melting Point | 63.9 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 80-39-7 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | OHPZPBNDOVQJMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-p-toluenesulfonamide (CAS 80-39-7), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: N-ethyl-4-methylbenzenesulfonamide.
Chemical Property Profile of N-Ethyl-p-toluenesulfonamide
Property Insights of N-Ethyl-p-toluenesulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-p-toluenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-Ethyl-p-toluenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-p-toluenesulfonamide 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-Ethyl-p-toluenesulfonamide?
The CAS number of N-Ethyl-p-toluenesulfonamide is 80-39-7.
What is the molecular formula of N-Ethyl-p-toluenesulfonamide?
The molecular formula of N-Ethyl-p-toluenesulfonamide is C9H13NO2S.
What is the molecular weight of N-Ethyl-p-toluenesulfonamide?
The molecular weight of N-Ethyl-p-toluenesulfonamide is 199.07 g/mol.
Where can I buy N-Ethyl-p-toluenesulfonamide?
You can request a quote for N-Ethyl-p-toluenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-p-toluenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.