3-(Methylsulphonylamino)benzoic acid
TL;DR: 3-(Methylsulphonylamino)benzoic acid (CAS 28547-13-9) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methanesulfonamido)benzoic acid
Also Known As: 3-(Methylsulfonamido)benzoic Acid, 3- benzoicacid, 3-(methanesulfonamido)benzoic acid, 3-methanesulfonamidobenzoic acid, Benzoic acid, 3-[(methylsulfonyl)amino]-
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 28547-13-9 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=CC(=C1)C(=O)O |
| InChIKey | WLPFXFJXJHAIKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulphonylamino)benzoic acid (CAS 28547-13-9), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: 3-(methanesulfonamido)benzoic acid.
Chemical Property Profile of 3-(Methylsulphonylamino)benzoic acid
Property Insights of 3-(Methylsulphonylamino)benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulphonylamino)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulphonylamino)benzoic acid. Following Lipinski's Rule of Five, 3-(Methylsulphonylamino)benzoic acid has 2 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 3-(Methylsulphonylamino)benzoic acid?
The CAS number of 3-(Methylsulphonylamino)benzoic acid is 28547-13-9.
What is the molecular formula of 3-(Methylsulphonylamino)benzoic acid?
The molecular formula of 3-(Methylsulphonylamino)benzoic acid is C8H9NO4S.
What is the molecular weight of 3-(Methylsulphonylamino)benzoic acid?
The molecular weight of 3-(Methylsulphonylamino)benzoic acid is 215.03 g/mol.
Where can I buy 3-(Methylsulphonylamino)benzoic acid?
You can request a quote for 3-(Methylsulphonylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulphonylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulphonylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.