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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
Names and Synonyms:
2-Aminophenol-4-Sulfonamide
Benzenesulfonamide, 3-amino-4-hydroxy-
Metanilamide, 4-hydroxy-
1-Phenol-4-sulfonamide, 2-amino-
3-Amino-4-hydroxybenzenesulfonamide
o-Aminophenol-p-sulfonamide
2-Aminophenol-4-sulfonamide
2-Amino-4-sulfamoylphenol
2-Amino-1-hydroxy-4-benzenesulfonamide
4-Hydroxymetanilamide
NSC 4976
3-Amino-4-hydroxyphenylsulfonamide
3-Amino-4-hydroxybenzene-1-sulfonamide
Identifiers:
SMILES:
Nc1cc(S(N)(=O)=O)ccc1O
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)
Key Properties
Melting Point
202 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 188.21 g/mol | CAS Common Chemistry |
| 188.20800000000003 g/mol | RDKit | |
| 188.025563116 g/mol | RDKit | |
| 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 |
| LogP | -0.3782000000000002 | RDKit |
| Molar Refractivity | 43.8924 | RDKit |
