N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide
TL;DR: N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide (CAS 136800-80-1) is a chemical compound with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
Also Known As: N-(1-Tosyl-2-chlorovinyl)benzamide, N-[(E)-2-chloro-1-tosyl-vinyl]benzamide, J1.131.099K, N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide, N-(2-CHLORO-1-(TOLUENE-4-SULFONYL)-VINYL)-BENZAMIDE
| Molecular Formula | C16H14ClNO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 3.23642 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0383 |
| Heavy Atoms | 22 |
| Complexity | 797.0444 |
Chemical Identifiers
| CAS Number | 136800-80-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/Cl)/NC(=O)C2=CC=CC=C2 |
Product Overview
N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide (CAS 136800-80-1), with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol. IUPAC: N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide.
Chemical Property Profile of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide
Property Insights of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide
The XLogP value of 3.23642 indicates that N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide 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 N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide. Following Lipinski's Rule of Five, N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide has 1 hydrogen bond donor(s) and 3 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 N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide?
The CAS number of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide is 136800-80-1.
What is the molecular formula of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide?
The molecular formula of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide is C16H14ClNO3S.
What is the molecular weight of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide?
The molecular weight of N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide is 335.04 g/mol.
Where can I buy N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide?
You can request a quote for N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.