N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide
TL;DR: N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide (CAS 380461-36-9) is a chemical compound with molecular formula C13H10F2N2O4S2 and molecular weight 360.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-4-nitrobenzenesulfonamide
Also Known As: AB00686157-01, F1575-0054, N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide, N-[4-(difluoromethylsulfanyl)phenyl]-4-nitrobenzenesulfonamide, [p-(difluoromethylthio)phenylamino]-p-nitrophenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C13H10F2N2O4S2 |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 3.7103 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.005 |
| Heavy Atoms | 23 |
| Complexity | 793.7292 |
Chemical Identifiers
| CAS Number | 380461-36-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(F)F |
Product Overview
N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide (CAS 380461-36-9), with molecular formula C13H10F2N2O4S2 and molecular weight 360.00 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide
Property Insights of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide
The XLogP value of 3.7103 indicates that N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide 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 N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide?
The CAS number of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide is 380461-36-9.
What is the molecular formula of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide is C13H10F2N2O4S2.
What is the molecular weight of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide is 360.00 g/mol.
Where can I buy N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-((difluoromethyl)thio)phenyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.