![N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide structure](/static/products/5151/515121-40-1.webp)
N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide
TL;DR: N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide (CAS 515121-40-1) is a chemical compound with molecular formula C18H17FN4O4S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-nitrobenzenesulfonamide
Also Known As: N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide, N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-nitrobenzenesulfonamide, {1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}[(2-nitrophenyl)sulfonyl] amine, N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-nitro-benzenesulfonamide
| Molecular Formula | C18H17FN4O4S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.39634 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.09546 |
| Heavy Atoms | 28 |
| Complexity | 1140.8923 |
Chemical Identifiers
| CAS Number | 515121-40-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide (CAS 515121-40-1), with molecular formula C18H17FN4O4S and molecular weight 404.10 g/mol. IUPAC: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide
Property Insights of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide
The XLogP value of 3.39634 indicates that N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-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-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide?
The CAS number of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide is 515121-40-1.
What is the molecular formula of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide?
The molecular formula of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide is C18H17FN4O4S.
What is the molecular weight of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide?
The molecular weight of N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide is 404.10 g/mol.
Where can I buy N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide?
You can request a quote for N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-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-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.