N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide
TL;DR: N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide (CAS 60729-99-9) is a chemical compound with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-5-chloro-1-phenylpyrazole-4-sulfonamide
Also Known As: N-butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide, N-butyl-5-chloro-1-phenylpyrazole-4-sulfonamide, 5-Chloro-1-phenyl-1H-pyrazole-4-sulfonic acid butylamide, A0031/0001415, RefChem:363574
| Molecular Formula | C13H16ClN3O2S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.6041 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.0652 |
| Heavy Atoms | 20 |
| Complexity | 668.1796 |
Chemical Identifiers
| CAS Number | 60729-99-9 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=C(N(N=C1)C2=CC=CC=C2)Cl |
Product Overview
N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide (CAS 60729-99-9), with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol. IUPAC: N-butyl-5-chloro-1-phenylpyrazole-4-sulfonamide.
Chemical Property Profile of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide
Property Insights of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide
The XLogP value of 2.6041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide. Following Lipinski's Rule of Five, N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide has 1 hydrogen bond donor(s) and 3 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-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide?
The CAS number of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide is 60729-99-9.
What is the molecular formula of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide?
The molecular formula of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide is C13H16ClN3O2S.
What is the molecular weight of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide?
The molecular weight of N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide is 313.07 g/mol.
Where can I buy N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide?
You can request a quote for N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-5-chloro-1-phenyl-1H-pyrazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.