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Molecule
Benzenesulfonamide, 4-Hydrazinyl-, Hydrochloride (1:?)
CAS: 27918-19-0 · C6H10ClN3O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27918-19-0
- Molecular Formula
- C6H10ClN3O2S
- Molecular Mass
- 223.69 g/mol
Identifiers
CAS Registry Number
27918-19-0
SMILES
Cl.NNc1ccc(S(N)(=O)=O)cc1
InChI Key
IKEURONJLPUALY-UHFFFAOYSA-N
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
Names and Synonyms
- Benzenesulfonamide, 4-Hydrazinyl-, Hydrochloride (1:?) Systematic Name
- Benzenesulfonamide, 4-hydrazinyl-, hydrochloride (1:?) Synonym
- Benzenesulfonamide, p-hydrazino-, hydrochloride Synonym
- Benzenesulfonamide, 4-hydrazino-, hydrochloride Synonym
- Phenylhydrazine-4-sulfonamide hydrochloride Synonym
- 4-Sulfonamidophenylhydrazine hydrochloride Synonym
- (4-Sulfamylphenyl)hydrazine hydrochloride Synonym
- 4-Hydrazinobenzenesulfonamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.69 g/mol | CAS Common Chemistry |
| 223.68499999999997 g/mol | RDKit | |
| 223.685 g/mol | RDKit | |
| 223.675 g/mol | chempirical lib | |
| 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 | 205-211 °C (decomp) | CAS Common Chemistry |
| Name | Benzenesulfonamide, 4-hydrazinyl-, hydrochloride (1:?) | 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 |
| 98.21 Ų | RDKit | |
| LogP | 0.04139999999999999 | RDKit |
| 0.0414 | RDKit | |
| Molar Refractivity | 52.87330000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.01822524 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 223.69 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10ClN3O2S.
