![2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide structure](/static/products/3390/339096-18-3.webp)
2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide
TL;DR: 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide (CAS 339096-18-3) is a chemical compound with molecular formula C21H18ClNO3S2 and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-(4-methylphenyl)sulfanylphenyl]-4-methylsulfonylbenzamide
Also Known As: 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide, 2-chloro-N-[4-(4-methylphenyl)sulfanylphenyl]-4-methylsulfonylbenzamide, 2-chloro-4-methanesulfonyl-N-{4-[(4-methylphenyl)sulfanyl]phenyl}benzamide
| Molecular Formula | C21H18ClNO3S2 |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 5.45542 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.04166 |
| Heavy Atoms | 28 |
| Complexity | 1109.3926 |
Chemical Identifiers
| CAS Number | 339096-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl |
Product Overview
2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide (CAS 339096-18-3), with molecular formula C21H18ClNO3S2 and molecular weight 431.04 g/mol. IUPAC: 2-chloro-N-[4-(4-methylphenyl)sulfanylphenyl]-4-methylsulfonylbenzamide.
Chemical Property Profile of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide
Property Insights of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide
The XLogP value of 5.45542 indicates that 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide. Following Lipinski's Rule of Five, 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide 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-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide?
The CAS number of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide is 339096-18-3.
What is the molecular formula of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide?
The molecular formula of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide is C21H18ClNO3S2.
What is the molecular weight of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide?
The molecular weight of 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide is 431.04 g/mol.
Where can I buy 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide?
You can request a quote for 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{4-[(4-methylphenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.