2-Methyl-5-(methylsulfonyl)benzenesulfonamide
TL;DR: 2-Methyl-5-(methylsulfonyl)benzenesulfonamide (CAS 1671-20-1) is a chemical compound with molecular formula C8H11NO4S2 and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-methylsulfonylbenzenesulfonamide
Also Known As: 2-Methyl-5-(methylsulfonyl)benzenesulfonamide, 5-methanesulfonyl-2-methylbenzene-1-sulfonamide, 2-Methyl-5-mesylbenzenesulfonamide, 2-methyl-5-methylsulfonylbenzenesulfonamide, 5-Methanesulfonyl-2-methyl-benzenesulfonamide
| Molecular Formula | C8H11NO4S2 |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.01295 |
| Heavy Atoms | 15 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 1671-20-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)N |
| InChIKey | HOKCNQPJWCGBPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-(methylsulfonyl)benzenesulfonamide (CAS 1671-20-1), with molecular formula C8H11NO4S2 and molecular weight 249.01 g/mol. IUPAC: 2-methyl-5-methylsulfonylbenzenesulfonamide.
Chemical Property Profile of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide
Property Insights of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(methylsulfonyl)benzenesulfonamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(methylsulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, 2-Methyl-5-(methylsulfonyl)benzenesulfonamide 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 2-Methyl-5-(methylsulfonyl)benzenesulfonamide?
The CAS number of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide is 1671-20-1.
What is the molecular formula of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide?
The molecular formula of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide is C8H11NO4S2.
What is the molecular weight of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide?
The molecular weight of 2-Methyl-5-(methylsulfonyl)benzenesulfonamide is 249.01 g/mol.
Where can I buy 2-Methyl-5-(methylsulfonyl)benzenesulfonamide?
You can request a quote for 2-Methyl-5-(methylsulfonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(methylsulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(methylsulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.