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Molecule
2-Aminophenol-4-Sulfonamide
CAS: 98-32-8 · C6H8N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 98-32-8
- Molecular Formula
- C6H8N2O3S
- Molecular Mass
- 188.21 g/mol
Identifiers
CAS Registry Number
98-32-8
SMILES
Nc1cc(S(N)(=O)=O)ccc1O
InChI Key
AVQFHKYAVVQYQO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
Names and Synonyms
- 2-Aminophenol-4-Sulfonamide Systematic Name
- Benzenesulfonamide, 3-amino-4-hydroxy- Synonym
- Metanilamide, 4-hydroxy- Synonym
- 1-Phenol-4-sulfonamide, 2-amino- Synonym
- 3-Amino-4-hydroxybenzenesulfonamide Synonym
- o-Aminophenol-p-sulfonamide Synonym
- 2-Aminophenol-4-sulfonamide Synonym
- 2-Amino-4-sulfamoylphenol Synonym
- 2-Amino-1-hydroxy-4-benzenesulfonamide Synonym
- 4-Hydroxymetanilamide Synonym
- NSC 4976 Synonym
- 3-Amino-4-hydroxyphenylsulfonamide Synonym
- 3-Amino-4-hydroxybenzene-1-sulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.21 g/mol | CAS Common Chemistry |
| 188.20800000000003 g/mol | RDKit | |
| 188.208 g/mol | RDKit | |
| 188.201 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C1=CC=C(O)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=AVQFHKYAVVQYQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 202 °C | CAS Common Chemistry |
| Name | 2-Aminophenol-4-sulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 106.41000000000001 Ų | RDKit |
| 106.41 Ų | RDKit | |
| LogP | -0.3782000000000002 | RDKit |
| -0.3782 | RDKit | |
| Molar Refractivity | 43.8924 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.025563116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 188.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O3S.
