2,3,4,5,6-Pentamethylbenzenesulfonamide
TL;DR: 2,3,4,5,6-Pentamethylbenzenesulfonamide (CAS 208173-25-5) is a chemical compound with molecular formula C11H17NO2S and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentamethylbenzenesulfonamide
Also Known As: pentamethylbenzene-1-sulfonamide, 2,3,4,5,6-Pentamethylbenzenesulfonamide, Pentamethylbenzenesulphonamide, pentamethyl-benzenesulfonic acid amide, 2,3,4,5,6-Pentamethylbenzenesulfonamide #
| Molecular Formula | C11H17NO2S |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.098 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 208173-25-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N)C)C |
| InChIKey | QITSJCOOORWWSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6-Pentamethylbenzenesulfonamide (CAS 208173-25-5), with molecular formula C11H17NO2S and molecular weight 227.10 g/mol. IUPAC: 2,3,4,5,6-pentamethylbenzenesulfonamide.
Chemical Property Profile of 2,3,4,5,6-Pentamethylbenzenesulfonamide
Property Insights of 2,3,4,5,6-Pentamethylbenzenesulfonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentamethylbenzenesulfonamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5,6-Pentamethylbenzenesulfonamide. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentamethylbenzenesulfonamide 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 2,3,4,5,6-Pentamethylbenzenesulfonamide?
The CAS number of 2,3,4,5,6-Pentamethylbenzenesulfonamide is 208173-25-5.
What is the molecular formula of 2,3,4,5,6-Pentamethylbenzenesulfonamide?
The molecular formula of 2,3,4,5,6-Pentamethylbenzenesulfonamide is C11H17NO2S.
What is the molecular weight of 2,3,4,5,6-Pentamethylbenzenesulfonamide?
The molecular weight of 2,3,4,5,6-Pentamethylbenzenesulfonamide is 227.10 g/mol.
Where can I buy 2,3,4,5,6-Pentamethylbenzenesulfonamide?
You can request a quote for 2,3,4,5,6-Pentamethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentamethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentamethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.