![2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide structure](/static/products/6944/694487-50-8.webp)
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide
TL;DR: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide (CAS 694487-50-8) is a chemical compound with molecular formula C22H18IN3O3S and molecular weight 531.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide
Also Known As: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide, N-[4-(cyanomethyl)phenyl]-N~2~-(4-iodophenyl)-N~2~-(phenylsulfonyl)glycinamide
| Molecular Formula | C22H18IN3O3S |
|---|---|
| Molecular Weight | 531.01 g/mol |
| LogP | 4.19128 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.01135 |
| Heavy Atoms | 30 |
| Complexity | 1157.0045 |
Chemical Identifiers
| CAS Number | 694487-50-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=C(C=C3)I |
Product Overview
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide (CAS 694487-50-8), with molecular formula C22H18IN3O3S and molecular weight 531.01 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide.
Chemical Property Profile of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide
Property Insights of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide
The XLogP value of 4.19128 indicates that 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The CAS number of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide is 694487-50-8.
What is the molecular formula of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The molecular formula of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide is C22H18IN3O3S.
What is the molecular weight of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The molecular weight of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide is 531.01 g/mol.
Where can I buy 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
You can request a quote for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-(cyanomethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.