![Methyl 2-[(methylsulfonyl)amino]benzoate structure](/static/products/7164/716-41-6.webp)
Methyl 2-[(methylsulfonyl)amino]benzoate
TL;DR: Methyl 2-[(methylsulfonyl)amino]benzoate (CAS 716-41-6) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methanesulfonamido)benzoate
Also Known As: methyl 2-methanesulfonamidobenzoate, methyl 2-[(methylsulfonyl)amino]benzoate, methyl 2-(methanesulfonamido)benzoate, Methyl 2-(methylsulfonamido)benzoate, Maybridge1_001274
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 716-41-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NS(=O)(=O)C |
| InChIKey | QZFHUYKVZFZBSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(methylsulfonyl)amino]benzoate (CAS 716-41-6), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: methyl 2-(methanesulfonamido)benzoate.
Chemical Property Profile of Methyl 2-[(methylsulfonyl)amino]benzoate
Property Insights of Methyl 2-[(methylsulfonyl)amino]benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(methylsulfonyl)amino]benzoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(methylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(methylsulfonyl)amino]benzoate 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 Methyl 2-[(methylsulfonyl)amino]benzoate?
The CAS number of Methyl 2-[(methylsulfonyl)amino]benzoate is 716-41-6.
What is the molecular formula of Methyl 2-[(methylsulfonyl)amino]benzoate?
The molecular formula of Methyl 2-[(methylsulfonyl)amino]benzoate is C9H11NO4S.
What is the molecular weight of Methyl 2-[(methylsulfonyl)amino]benzoate?
The molecular weight of Methyl 2-[(methylsulfonyl)amino]benzoate is 229.04 g/mol.
Where can I buy Methyl 2-[(methylsulfonyl)amino]benzoate?
You can request a quote for Methyl 2-[(methylsulfonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(methylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(methylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.