N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide
TL;DR: N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide (CAS 896290-68-9) is a chemical compound with molecular formula C16H13NO3S2 and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide
Also Known As: N-(1-benzothiophen-5-yl)-3-methanesulfonylbenzamide, N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide, F2557-0122, N-(benzo[b]thiophen-5-yl)-3-(methylsulfonyl)benzamide, methyl(oxo)-m-(N-1-benzothiophen-5-ylcarbamoyl)phenyl-lambda-sulfaniumolate
| Molecular Formula | C16H13NO3S2 |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 3.5571 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0337 |
| Heavy Atoms | 22 |
| Complexity | 958.19116 |
Chemical Identifiers
| CAS Number | 896290-68-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)SC=C3 |
Product Overview
N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide (CAS 896290-68-9), with molecular formula C16H13NO3S2 and molecular weight 331.03 g/mol. IUPAC: N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide.
Chemical Property Profile of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide
Property Insights of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide
The XLogP value of 3.5571 indicates that N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide 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-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide has 1 hydrogen bond donor(s) and 4 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-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide?
The CAS number of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide is 896290-68-9.
What is the molecular formula of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide?
The molecular formula of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide is C16H13NO3S2.
What is the molecular weight of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide?
The molecular weight of N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide is 331.03 g/mol.
Where can I buy N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide?
You can request a quote for N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzothiophen-5-yl)-3-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.