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4-Hydrazinylbenzenesulfonamide Hydrochloride
CAS: 17852-52-7 | C6H10ClN3O2S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
17852-52-7
Molecular Formula:
C6H10ClN3O2S
Molecular Mass:
223.69 g/mol
Names and Synonyms:
4-Hydrazinylbenzenesulfonamide Hydrochloride
Benzenesulfonamide, 4-hydrazinyl-, hydrochloride (1:1)
Benzenesulfonamide, p-hydrazino-, monohydrochloride
Benzenesulfonamide, 4-hydrazino-, monohydrochloride
(p-Sulfamoylphenyl)hydrazine monohydrochloride
(4-Sulfamoylphenyl)hydrazine hydrochloride
4-Aminosulfonylphenylhydrazine monohydrochloride
[4-(Aminosulfonyl)phenyl]hydrazine hydrochloride
4-Hydrazinylbenzenesulfonamide hydrochloride
4-Hydrazinobenzene-1-sulfonamide hydrochloride
4-Hydrazinobenzenesulfonamide monohydrochloride
p-Hydrazinobenzensulfonamide hydrochloride
4-Hydrazinebenzenesulfonamide hydrochloride
Identifiers:
SMILES:
Cl.NNc1ccc(S(N)(=O)=O)cc1
InChI:
InChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H
Key Properties
Melting Point
204 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.69 g/mol | CAS Common Chemistry |
| 223.68499999999997 g/mol | RDKit | |
| 223.01822524 g/mol | RDKit | |
| Canonical SMILES | Cl.O=S(=O)(N)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H | CAS Common Chemistry |
| InChI Key | InChIKey=IKEURONJLPUALY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204 °C (decomp) | CAS Common Chemistry |
| Name | 4-Hydrazinylbenzenesulfonamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.20999999999998 Ų | RDKit |
| LogP | 0.04139999999999999 | RDKit |
| Molar Refractivity | 52.87330000000001 | RDKit |
