2-cyano-N-(3-nitrophenyl)benzenesulfonamide
TL;DR: 2-cyano-N-(3-nitrophenyl)benzenesulfonamide (CAS 612045-83-7) 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.
2-cyano-N-(3-nitrophenyl)benzenesulfonamide
Also Known As: 2-Cyano-N-{3-nitrophenyl}, 2-cyano-N-(3-nitrophenyl)benzenesulfonamide, 2-cyano-N-{3-nitrophenyl}benzenesulfonamide, AS-871/41610357, 2-{[(3-nitrophenyl)amino]sulfonyl}benzenecarbonitrile
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 612045-83-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FQCDEMSAPFDDKJ-UHFFFAOYSA-N |
Product Overview
2-cyano-N-(3-nitrophenyl)benzenesulfonamide (CAS 612045-83-7), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: 2-cyano-N-(3-nitrophenyl)benzenesulfonamide.
Chemical Property Profile of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide
Property Insights of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(3-nitrophenyl)benzenesulfonamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(3-nitrophenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 2-cyano-N-(3-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 2-cyano-N-(3-nitrophenyl)benzenesulfonamide?
The CAS number of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide is 612045-83-7.
What is the molecular formula of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide?
The molecular formula of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide is C13H9N3O4S.
What is the molecular weight of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide?
The molecular weight of 2-cyano-N-(3-nitrophenyl)benzenesulfonamide is 303.03 g/mol.
Where can I buy 2-cyano-N-(3-nitrophenyl)benzenesulfonamide?
You can request a quote for 2-cyano-N-(3-nitrophenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(3-nitrophenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(3-nitrophenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.