![[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate structure](/static/products/1004/1004017-90-6.webp)
[5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
TL;DR: [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate (CAS 1004017-90-6) is a chemical compound with molecular formula C16H11ClFN3O4S and molecular weight 395.01428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
Also Known As: AB00668355-01, [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate, F0549-0228, 5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate, [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate
Technical Specifications
| Molecular Formula | C16H11ClFN3O4S |
| Molecular Weight | 395.01428 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.01428 Da |
| Heavy Atoms | 26 |
| Complexity | 611.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC=C3Cl)F)N |
| InChIKey | LLADYHMRJZVUFT-UHFFFAOYSA-N |
Chemical Property Profile of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
Property Insights of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate
The XLogP value of 4.1 indicates that [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate. Following Lipinski's Rule of Five, [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The CAS number of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is 1004017-90-6.
What is the molecular formula of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The molecular formula of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is C16H11ClFN3O4S.
What is the molecular weight of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
The molecular weight of [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate is 395.01428 g/mol.
Where can I buy [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
You can request a quote for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for [5-Amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.