4-hydroxy-N-methyl-3-nitrobenzenesulphonamide
TL;DR: 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide (CAS 96-58-2) is a chemical compound with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
Also Known As: 4-hydroxy-n-methyl-3-nitrobenzenesulfonamide, 4-Hydroxy-N-methyl-3-nitrobenzenesulphonamide, 2-Nitrophenol-4-sulfomethyl amide, 4-hydroxy-N-methyl-3-nitrobenzensulfonamid, 4-hydroxy-N-methyl-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C7H8N2O5S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0154 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 96-58-2 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | ORCOFVZAETWNGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-hydroxy-N-methyl-3-nitrobenzenesulphonamide (CAS 96-58-2), with molecular formula C7H8N2O5S and molecular weight 232.02 g/mol. IUPAC: 4-hydroxy-N-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide
Property Insights of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide. Following Lipinski's Rule of Five, 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide has 2 hydrogen bond donor(s) and 6 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 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide?
The CAS number of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide is 96-58-2.
What is the molecular formula of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide?
The molecular formula of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide is C7H8N2O5S.
What is the molecular weight of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide?
The molecular weight of 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide is 232.02 g/mol.
Where can I buy 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide?
You can request a quote for 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.