N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide
TL;DR: N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide (CAS 714263-26-0) is a chemical compound with molecular formula C21H21N3O4S3 and molecular weight 475.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
Also Known As: N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide, N-[3-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide, N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide, N-(3-(1-(phenylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
| Molecular Formula | C21H21N3O4S3 |
|---|---|
| Molecular Weight | 475.07 g/mol |
| LogP | 4.0497 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.06943 |
| Heavy Atoms | 31 |
| Complexity | 1302.9194 |
Chemical Identifiers
| CAS Number | 714263-26-0 |
|---|---|
| SMILES | CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide (CAS 714263-26-0), with molecular formula C21H21N3O4S3 and molecular weight 475.07 g/mol. IUPAC: N-[3-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
Chemical Property Profile of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide
Property Insights of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide
The XLogP value of 4.0497 indicates that N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide. Following Lipinski's Rule of Five, N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide 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-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide?
The CAS number of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide is 714263-26-0.
What is the molecular formula of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide?
The molecular formula of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide is C21H21N3O4S3.
What is the molecular weight of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide?
The molecular weight of N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide is 475.07 g/mol.
Where can I buy N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide?
You can request a quote for N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[1-(benzenesulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethane-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.