![4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide structure](/static/products/4319/431999-01-8.webp)
4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide
TL;DR: 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide (CAS 431999-01-8) is a chemical compound with molecular formula C22H16ClN3O2S2 and molecular weight 453.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
Also Known As: BAS 03787162, 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide, AB00117192-01, 4-chloro-N-(2-(pyrimidin-2-ylthio)-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide, F1036-0044
| Molecular Formula | C22H16ClN3O2S2 |
|---|---|
| Molecular Weight | 453.04 g/mol |
| LogP | 5.1498 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.03726 |
| Heavy Atoms | 30 |
| Complexity | 1324.615 |
Chemical Identifiers
| CAS Number | 431999-01-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(C(C3=CC=C2)SC4=NC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)Cl |
Product Overview
4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide (CAS 431999-01-8), with molecular formula C22H16ClN3O2S2 and molecular weight 453.04 g/mol. IUPAC: 4-chloro-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide.
Chemical Property Profile of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide
Property Insights of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide
The XLogP value of 5.1498 indicates that 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide. Following Lipinski's Rule of Five, 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide?
The CAS number of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide is 431999-01-8.
What is the molecular formula of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide?
The molecular formula of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide is C22H16ClN3O2S2.
What is the molecular weight of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide?
The molecular weight of 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide is 453.04 g/mol.
Where can I buy 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide?
You can request a quote for 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-[2-(pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.