![2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide structure](/static/products/4000/400076-96-2.webp)
2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide
TL;DR: 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide (CAS 400076-96-2) is a chemical compound with molecular formula C19H22ClN3O3S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonylbenzamide
Also Known As: 12G-363S, 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide, 2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonylbenzamide, 2-chloro-4-methanesulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide, 2-Chloro-N-(2-(4-methylpiperazin-1-yl)phenyl)-4-(methylsulfonyl)benzamide
| Molecular Formula | C19H22ClN3O3S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.7476 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.10703 |
| Heavy Atoms | 27 |
| Complexity | 954.4223 |
Chemical Identifiers
| CAS Number | 400076-96-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl |
Product Overview
2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide (CAS 400076-96-2), with molecular formula C19H22ClN3O3S and molecular weight 407.11 g/mol. IUPAC: 2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonylbenzamide.
Chemical Property Profile of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide
Property Insights of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide
The XLogP value of 2.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide. Following Lipinski's Rule of Five, 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide 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 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide?
The CAS number of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide is 400076-96-2.
What is the molecular formula of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide?
The molecular formula of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide is C19H22ClN3O3S.
What is the molecular weight of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide?
The molecular weight of 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide is 407.11 g/mol.
Where can I buy 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide?
You can request a quote for 2-chloro-N-[2-(4-methylpiperazino)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-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[2-(4-methylpiperazino)phenyl]-4-(methylsulfonyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.