N-Ethyl-o-toluenesulfonamide
TL;DR: N-Ethyl-o-toluenesulfonamide (CAS 1077-56-1) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-2-methylbenzenesulfonamide
Also Known As: N-ETHYL-O-TOLUENESULFONAMIDE, n-e-o/ptsa, N-Ethyl-2-methylbenzenesulfonamide, Ethyl tosylamide, N-Ethyltoluene-2-sulphonamide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.0667 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 Da |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
| Density | 1.203 at 63.9 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Vapor Pressure | 4.15 mmHg at 77 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CCNS(=O)(=O)C1=CC=CC=C1C |
| InChIKey | NATWUQFQFMZVMT-UHFFFAOYSA-N |
Chemical Property Profile of N-Ethyl-o-toluenesulfonamide
Property Insights of N-Ethyl-o-toluenesulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-o-toluenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-Ethyl-o-toluenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-o-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
What is the CAS number of N-Ethyl-o-toluenesulfonamide?
The CAS number of N-Ethyl-o-toluenesulfonamide is 1077-56-1.
What is the molecular formula of N-Ethyl-o-toluenesulfonamide?
The molecular formula of N-Ethyl-o-toluenesulfonamide is C9H13NO2S.
What is the molecular weight of N-Ethyl-o-toluenesulfonamide?
The molecular weight of N-Ethyl-o-toluenesulfonamide is 199.0667 g/mol.
Where can I buy N-Ethyl-o-toluenesulfonamide?
You can request a quote for N-Ethyl-o-toluenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Ethyl-o-toluenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-Ethyl-o-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.