4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide
TL;DR: 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide (CAS 852665-87-3) is a chemical compound with molecular formula C9H12N2O5S2 and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide
Also Known As: 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide, 4-(2-hydroxyethylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide
| Molecular Formula | C9H12N2O5S2 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 0.5873 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.01877 |
| Heavy Atoms | 18 |
| Complexity | 543.88904 |
Chemical Identifiers
| CAS Number | 852665-87-3 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C(C=C1)SCCO)[N+](=O)[O-] |
Product Overview
4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide (CAS 852665-87-3), with molecular formula C9H12N2O5S2 and molecular weight 292.02 g/mol. IUPAC: 4-(2-hydroxyethylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide
Property Insights of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide
The XLogP value of 0.5873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide 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-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide?
The CAS number of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide is 852665-87-3.
What is the molecular formula of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide?
The molecular formula of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide is C9H12N2O5S2.
What is the molecular weight of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide?
The molecular weight of 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide is 292.02 g/mol.
Where can I buy 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide?
You can request a quote for 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Hydroxyethyl)thio)-N-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.