![4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide structure](/static/products/6178/61785-67-9.webp)
4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
TL;DR: 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide (CAS 61785-67-9) is a chemical compound with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
Also Known As: 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide, 4-[(4-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-yl)amino]benzene-1-sulfonamide
| Molecular Formula | C12H9N5O6S |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.02734 |
| Heavy Atoms | 24 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 61785-67-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])S(=O)(=O)N |
| InChIKey | FORJUFBHBWYGPX-UHFFFAOYSA-N |
Product Overview
4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide (CAS 61785-67-9), with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol. IUPAC: 4-[(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide.
Chemical Property Profile of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
Property Insights of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide. The TPSA of 178.0 Ų indicates high polarity, suggesting 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide has 2 hydrogen bond donor(s) and 9 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 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide?
The CAS number of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide is 61785-67-9.
What is the molecular formula of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide?
The molecular formula of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide is C12H9N5O6S.
What is the molecular weight of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide?
The molecular weight of 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide is 351.03 g/mol.
Where can I buy 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide?
You can request a quote for 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(7-Nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)amino]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.