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Molecule
Sulfachloropyridazine Sodium
CAS: 23282-55-5 · C10H9ClN4NaO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23282-55-5
- Molecular Formula
- C10H9ClN4NaO2S
- Molecular Mass
- 307.72 g/mol
Identifiers
CAS Registry Number
23282-55-5
SMILES
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.[Na]
InChI Key
GHQJXOBLWKFNAD-UHFFFAOYSA-N
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);
Names and Synonyms
- Sulfachloropyridazine Sodium Common Name
- Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-, sodium salt (1:1) Synonym
- Sulfanilamide, N1-(6-chloro-3-pyridazinyl)-, monosodium salt Synonym
- Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-, monosodium salt Synonym
- Sodium sulfachlorpyridazine Synonym
- Sulfachlorpyridazine sodium Synonym
- Sulfachloropyridazine sodium Synonym
- Sodium sulfachloropyridazine Synonym
- Prinzone Synonym
- Sulfachlorpyridazine sodium salt Synonym
- Vetisulid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.72 g/mol | CAS Common Chemistry |
| 307.718 g/mol | RDKit | |
| 308.716 g/mol | chempirical lib | |
| 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 |
| 1.1322 | RDKit | |
| Molar Refractivity | 74.45890000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 307.00324348800007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 307.72 g/mol. Edit any field — others recompute live.
