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Sulfachloropyridazine Sodium
CAS: 23282-55-5 | C10H9ClN4NaO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23282-55-5
Molecular Formula:
C10H9ClN4NaO2S
Molecular Mass:
307.72 g/mol
Names and Synonyms:
Sulfachloropyridazine Sodium
Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-, sodium salt (1:1)
Sulfanilamide, N1-(6-chloro-3-pyridazinyl)-, monosodium salt
Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-, monosodium salt
Sodium sulfachlorpyridazine
Sulfachlorpyridazine sodium
Sulfachloropyridazine sodium
Sodium sulfachloropyridazine
Prinzone
Sulfachlorpyridazine sodium salt
Vetisulid
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.[Na]
InChI:
InChI=1S/C10H9ClN4O2S.Na/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2,(H,14,15);
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 | 307.72 g/mol | CAS Common Chemistry |
| 307.718 g/mol | RDKit | |
| 307.00324348800007 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(NC1=NN=C(Cl)C=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9ClN4O2S.Na/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2,(H,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=GHQJXOBLWKFNAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfachloropyridazine sodium | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.97 Ų | RDKit |
| LogP | 1.1321999999999999 | RDKit |
| Molar Refractivity | 74.45890000000001 | RDKit |
