2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide
TL;DR: 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide (CAS 702647-72-1) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-N-(2-methyl-3-nitrophenyl)acetamide
Also Known As: 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide, 2-benzylsulfonyl-N-(2-methyl-3-nitrophenyl)acetamide, N-(2-methyl-3-nitrophenyl)-2-[benzylsulfonyl]acetamide
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.45672 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 863.29144 |
Chemical Identifiers
| CAS Number | 702647-72-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CS(=O)(=O)CC2=CC=CC=C2 |
Product Overview
2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide (CAS 702647-72-1), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 2-benzylsulfonyl-N-(2-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide
Property Insights of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide
The XLogP value of 2.45672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide 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-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide?
The CAS number of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide is 702647-72-1.
What is the molecular formula of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide?
The molecular formula of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide is C16H16N2O5S.
What is the molecular weight of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide?
The molecular weight of 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide is 348.08 g/mol.
Where can I buy 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide?
You can request a quote for 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfonyl)-N-(2-methyl-3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.