3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
TL;DR: 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide (CAS 824978-47-4) is a chemical compound with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
Also Known As: 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide, 3-nitro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
| Molecular Formula | C14H14N2O4S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 2.6654 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.0395 |
| Heavy Atoms | 22 |
| Complexity | 748.448 |
Chemical Identifiers
| CAS Number | 824978-47-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide (CAS 824978-47-4), with molecular formula C14H14N2O4S2 and molecular weight 338.04 g/mol. IUPAC: 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide.
Chemical Property Profile of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
Property Insights of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
The XLogP value of 2.6654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide 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 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The CAS number of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide is 824978-47-4.
What is the molecular formula of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The molecular formula of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide is C14H14N2O4S2.
What is the molecular weight of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The molecular weight of 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide is 338.04 g/mol.
Where can I buy 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
You can request a quote for 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.