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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
Names and Synonyms:
Sulfachlorpyridazine
Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-
Sulfanilamide, N1-(6-chloro-3-pyridazinyl)-
4-Amino-N-(6-chloro-3-pyridazinyl)benzenesulfonamide
BA 10370
N1-(6-Chloro-3-pyridazinyl)sulfanilamide
Consulid
Sonilyn
Sulfachlorpyridazine
6-Sulfanilamido-3-chloropyridazine
3-Chloro-6-sulfanilamidopyridazine
Bactolin
Renalsulfa
Sulfaclorazina
Sulfarene
Sulpirazina
Durasulf
Sulfochlorpyridazine
Nefrosul
Cosulid
Ciba 10370
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
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)
Key Properties
Melting Point
187 °C
CAS Common Chemistry
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 | 284.73 g/mol | CAS Common Chemistry |
| 284.728 g/mol | RDKit | |
| 284.01347420800005 g/mol | RDKit | |
| 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 | RDKit |
