N-(4-cyanophenyl)-2-nitrobenzenesulfonamide
TL;DR: N-(4-cyanophenyl)-2-nitrobenzenesulfonamide (CAS 63228-72-8) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-2-nitrobenzenesulfonamide
Also Known As: N-(4-cyanophenyl)-2-nitrobenzenesulfonamide, BAS 01936737, N-(4-Cyano-phenyl)-2-nitro-benzenesulfonamide, N-(4-Cyanophenyl)-2-nitrobenzene-1-sulfonamide, 4-{[(2-nitrophenyl)sulfonyl]amino}benzenecarbonitrile
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.26728 |
| Topological Polar Surface Area | 113.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 823.24005 |
Chemical Identifiers
| CAS Number | 63228-72-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C#N |
Product Overview
N-(4-cyanophenyl)-2-nitrobenzenesulfonamide (CAS 63228-72-8), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: N-(4-cyanophenyl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide
Property Insights of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide
The XLogP value of 2.26728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-cyanophenyl)-2-nitrobenzenesulfonamide. The TPSA of 113.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyanophenyl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(4-cyanophenyl)-2-nitrobenzenesulfonamide 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 N-(4-cyanophenyl)-2-nitrobenzenesulfonamide?
The CAS number of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide is 63228-72-8.
What is the molecular formula of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide is C13H9N3O4S.
What is the molecular weight of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(4-cyanophenyl)-2-nitrobenzenesulfonamide is 303.03 g/mol.
Where can I buy N-(4-cyanophenyl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(4-cyanophenyl)-2-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyanophenyl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyanophenyl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.