4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide
TL;DR: 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide (CAS 109034-03-9) is a chemical compound with molecular formula C13H12N2O6S and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide
Also Known As: 4'-Hydroxy Nimesulide, 4-Hydroxynimesulide, Hydroxynimesulide, 4-hydroxy Nimesulide, 4-Hydroxy nimesulide
| Molecular Formula | C13H12N2O6S |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0416 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 109034-03-9 |
|---|---|
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)O |
| InChIKey | XYHFQSKAUPPPBY-UHFFFAOYSA-N |
Product Overview
4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide (CAS 109034-03-9), with molecular formula C13H12N2O6S and molecular weight 324.04 g/mol. IUPAC: N-[2-(4-hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide.
Chemical Property Profile of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide
Property Insights of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide. Following Lipinski's Rule of Five, 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide has 2 hydrogen bond donor(s) and 7 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-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide?
The CAS number of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide is 109034-03-9.
What is the molecular formula of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide?
The molecular formula of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide is C13H12N2O6S.
What is the molecular weight of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide?
The molecular weight of 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide is 324.04 g/mol.
Where can I buy 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide?
You can request a quote for 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.