3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide
TL;DR: 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide (CAS 897831-05-9) is a chemical compound with molecular formula C13H12N2O6S2 and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonyl-N-(4-nitrophenyl)benzenesulfonamide
Also Known As: 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide, 3-methylsulfonyl-N-(4-nitrophenyl)benzenesulfonamide, VU0507920-1, 3-methanesulfonyl-N-(4-nitrophenyl)benzene-1-sulfonamide, F3043-0053
| Molecular Formula | C13H12N2O6S2 |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 1.7991 |
| Topological Polar Surface Area | 123.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.01367 |
| Heavy Atoms | 23 |
| Complexity | 950.2142 |
Chemical Identifiers
| CAS Number | 897831-05-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide (CAS 897831-05-9), with molecular formula C13H12N2O6S2 and molecular weight 356.01 g/mol. IUPAC: 3-methylsulfonyl-N-(4-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide
Property Insights of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide
The XLogP value of 1.7991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide. The TPSA of 123.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide?
The CAS number of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide is 897831-05-9.
What is the molecular formula of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide?
The molecular formula of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide is C13H12N2O6S2.
What is the molecular weight of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide?
The molecular weight of 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide is 356.01 g/mol.
Where can I buy 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide?
You can request a quote for 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfonyl)-N-(4-nitrophenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.