2-Methylbenzenesulfonamide
TL;DR: 2-Methylbenzenesulfonamide (CAS 88-19-7) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzenesulfonamide
Also Known As: O-TOLUENESULFONAMIDE, 2-Methylbenzenesulfonamide, 2-methylbenzene-1-sulfonamide, 2-Toluenesulfonamide, TOLUENESULFONAMIDE
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.0354 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
| Melting Point | 156.3 °C |
| Boiling Point | 214 °C at 10 mm Hg |
| Density | 1.46 g/cm³ |
| Solubility | In water, 1.62X10+3 mg/L at 25 °C |
| Vapor Pressure | 0.00006 [mmHg] |
Chemical Identifiers
| CAS Number | 88-19-7 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)N |
| InChIKey | YCMLQMDWSXFTIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbenzenesulfonamide (CAS 88-19-7), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: 2-methylbenzenesulfonamide.
Chemical Property Profile of 2-Methylbenzenesulfonamide
Property Insights of 2-Methylbenzenesulfonamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzenesulfonamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylbenzenesulfonamide. Following Lipinski's Rule of Five, 2-Methylbenzenesulfonamide 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 2-Methylbenzenesulfonamide?
The CAS number of 2-Methylbenzenesulfonamide is 88-19-7.
What is the molecular formula of 2-Methylbenzenesulfonamide?
The molecular formula of 2-Methylbenzenesulfonamide is C7H9NO2S.
What is the molecular weight of 2-Methylbenzenesulfonamide?
The molecular weight of 2-Methylbenzenesulfonamide is 171.04 g/mol.
Where can I buy 2-Methylbenzenesulfonamide?
You can request a quote for 2-Methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.