4-fluoro-N-methyl-3-nitrobenzenesulfonamide
TL;DR: 4-fluoro-N-methyl-3-nitrobenzenesulfonamide (CAS 1041598-53-1) is a chemical compound with molecular formula C7H7FN2O4S and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-methyl-3-nitrobenzenesulfonamide
Also Known As: 4-fluoro-N-methyl-3-nitrobenzenesulfonamide, 4-Fluoro-N-methyl-3-nitro-benzenesulfonamide, 4-fluoro-N-methyl-3-nitrobenzene-1-sulfonamide, Benzenesulfonamide,4-fluoro-N-methyl-3-nitro-, Benzenamine, 2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]-
| Molecular Formula | C7H7FN2O4S |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 0.642 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.01106 |
| Heavy Atoms | 15 |
| Complexity | 499.7117 |
Chemical Identifiers
| CAS Number | 1041598-53-1 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
Product Overview
4-fluoro-N-methyl-3-nitrobenzenesulfonamide (CAS 1041598-53-1), with molecular formula C7H7FN2O4S and molecular weight 234.01 g/mol. IUPAC: 4-fluoro-N-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide
Property Insights of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide
The XLogP value of 0.642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-methyl-3-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-N-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-fluoro-N-methyl-3-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-fluoro-N-methyl-3-nitrobenzenesulfonamide?
The CAS number of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide is 1041598-53-1.
What is the molecular formula of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide?
The molecular formula of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide is C7H7FN2O4S.
What is the molecular weight of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide?
The molecular weight of 4-fluoro-N-methyl-3-nitrobenzenesulfonamide is 234.01 g/mol.
Where can I buy 4-fluoro-N-methyl-3-nitrobenzenesulfonamide?
You can request a quote for 4-fluoro-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-fluoro-N-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.