N-(2-fluorophenyl)-2-nitrobenzenesulfonamide
TL;DR: N-(2-fluorophenyl)-2-nitrobenzenesulfonamide (CAS 178479-21-5) is a chemical compound with molecular formula C12H9FN2O4S and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-nitrobenzenesulfonamide
Also Known As: N-(2-fluorophenyl)-2-nitrobenzenesulfonamide, Benzenesulfonamide, N-(2-fluorophenyl)-2-nitro-, J1.875.145C, N-(2-fluorophenyl)-2-nitro-benzenesulfonamide, (2-fluorophenyl)[(2-nitrophenyl)sulfonyl]amine
| Molecular Formula | C12H9FN2O4S |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0267 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 178479-21-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])F |
| InChIKey | XYLHEMHJHAWSEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-fluorophenyl)-2-nitrobenzenesulfonamide (CAS 178479-21-5), with molecular formula C12H9FN2O4S and molecular weight 296.03 g/mol. IUPAC: N-(2-fluorophenyl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide
Property Insights of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-fluorophenyl)-2-nitrobenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-fluorophenyl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-2-nitrobenzenesulfonamide has 1 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 N-(2-fluorophenyl)-2-nitrobenzenesulfonamide?
The CAS number of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide is 178479-21-5.
What is the molecular formula of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide is C12H9FN2O4S.
What is the molecular weight of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(2-fluorophenyl)-2-nitrobenzenesulfonamide is 296.03 g/mol.
Where can I buy N-(2-fluorophenyl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(2-fluorophenyl)-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorophenyl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.