Back to Search
Sulfaquinoxaline Sodium
CAS: 967-80-6 | C14H12N4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
967-80-6
Molecular Formula:
C14H12N4NaO2S
Molecular Mass:
323.33 g/mol
Names and Synonyms:
Sulfaquinoxaline Sodium
Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-, sodium salt (1:1)
Sulfanilamide, N1-2-quinoxalinyl-, monosodium salt
Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-, monosodium salt
Sodium, (N1-2-quinoxalinylsulfanilamido)-
Embazin
Sodium sulfaquinoxaline
Sodium 2-sulfanilamidoquinoxaline
Sulfaquinoxaline sodium salt
Sulfaquinoxaline sodium
Noxal (antimicrobial)
Noxal
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)N=c2cnc3ccccc3[nH]2)cc1.[Na]
InChI:
InChI=1S/C14H12N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2,(H,17,18);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.33 g/mol | CAS Common Chemistry |
| 323.333 g/mol | RDKit | |
| 323.05786590400004 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(NC1=NC2=CC=CC=C2N=C1)C3=CC=C(N)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2,(H,17,18); | CAS Common Chemistry |
| InChI Key | InChIKey=UBDSWJJGFQSVLE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfaquinoxaline sodium | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 101.20000000000002 Ų | RDKit |
| LogP | 1.0538999999999998 | RDKit |
| Molar Refractivity | 85.45090000000003 | RDKit |
