(E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide
TL;DR: (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide (CAS 527753-99-7) is a chemical compound with molecular formula C21H16ClF3N4O3S and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Also Known As: (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide, 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-N-{2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl}benzenesulfonamide (non-preferred name)
| Molecular Formula | C21H16ClF3N4O3S |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 4.0994 |
| Topological Polar Surface Area | 91.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.05838 |
| Heavy Atoms | 33 |
| Complexity | 1254.7515 |
Chemical Identifiers
| CAS Number | 527753-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N/N=C/C2=CN=CC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
(E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide (CAS 527753-99-7), with molecular formula C21H16ClF3N4O3S and molecular weight 496.06 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
Chemical Property Profile of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide
Property Insights of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide
The XLogP value of 4.0994 indicates that (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide. Following Lipinski's Rule of Five, (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide 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 (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide?
The CAS number of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide is 527753-99-7.
What is the molecular formula of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide?
The molecular formula of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide is C21H16ClF3N4O3S.
What is the molecular weight of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide?
The molecular weight of (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide is 496.06 g/mol.
Where can I buy (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide?
You can request a quote for (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-chloro-5-(trifluoromethyl)phenyl)-N-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.