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Molecule
Sulfachlorpyridazine
CAS: 80-32-0 · C10H9ClN4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 80-32-0
- Molecular Formula
- C10H9ClN4O2S
- Molecular Mass
- 284.73 g/mol
Identifiers
CAS Registry Number
80-32-0
SMILES
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChI Key
XOXHILFPRYWFOD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClN4O2S/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
- Sulfachlorpyridazine Common Name
- Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)- Synonym
- Sulfanilamide, N1-(6-chloro-3-pyridazinyl)- Synonym
- 4-Amino-N-(6-chloro-3-pyridazinyl)benzenesulfonamide Synonym
- BA 10370 Synonym
- N1-(6-Chloro-3-pyridazinyl)sulfanilamide Synonym
- Consulid Synonym
- Sonilyn Synonym
- Sulfachlorpyridazine Synonym
- 6-Sulfanilamido-3-chloropyridazine Synonym
- 3-Chloro-6-sulfanilamidopyridazine Synonym
- Bactolin Synonym
- Renalsulfa Synonym
- Sulfaclorazina Synonym
- Sulfarene Synonym
- Sulpirazina Synonym
- Durasulf Synonym
- Sulfochlorpyridazine Synonym
- Nefrosul Synonym
- Cosulid Synonym
- Ciba 10370 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.73 g/mol | CAS Common Chemistry |
| 284.728 g/mol | RDKit | |
| 284.718 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfachlorpyridazine | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(NC1=NN=C(Cl)C=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9ClN4O2S/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=XOXHILFPRYWFOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187 °C | CAS Common Chemistry |
| Name | Sulfachlorpyridazine | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | 1.513 | RDKit |
| Molar Refractivity | 68.70490000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 284.01347420800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
External Resources
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MW = 284.73 g/mol. Edit any field — others recompute live.
