3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide
TL;DR: 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide (CAS 697772-73-9) 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.
3-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
Also Known As: N-(3-nitrophenyl)-3-tosylpropanamide, 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide, 3-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)propanamide, 3-[(4-methylphenyl)sulfonyl]-N-(3-nitrophenyl)propanamide, 3[(4methylphenyl)sulfonyl]n(3nitrophenyl)propanamide
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.70572 |
| 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 | 860.29144 |
Chemical Identifiers
| CAS Number | 697772-73-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide (CAS 697772-73-9), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)propanamide.
Chemical Property Profile of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide
Property Insights of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide
The XLogP value of 2.70572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide 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 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide?
The CAS number of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide is 697772-73-9.
What is the molecular formula of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide?
The molecular formula of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide is C16H16N2O5S.
What is the molecular weight of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide?
The molecular weight of 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide is 348.08 g/mol.
Where can I buy 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide?
You can request a quote for 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.