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4-Hydroxybenzenesulfonamide
CAS: 1576-43-8 | C6H7NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1576-43-8
Molecular Formula:
C6H7NO3S
Molecular Mass:
173.19 g/mol
Names and Synonyms:
4-Hydroxybenzenesulfonamide
Benzenesulfonamide, 4-hydroxy-
Benzenesulfonamide, p-hydroxy-
1-Phenol-4-sulfonamide
4-Hydroxybenzenesulfonamide
p-Hydroxybenzenesulfonamide
4-Sulfamoylphenol
p-Phenolsulfonamide
NSC 20848
4-Hydroxybenzene-1-sulfonamide
Identifiers:
SMILES:
NS(=O)(=O)c1ccc(O)cc1
InChI:
InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)
Key Properties
Melting Point
178 °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 | 173.19 g/mol | CAS Common Chemistry |
| 173.19299999999998 g/mol | RDKit | |
| 173.014664084 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(N)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=DIRCLGLKRZLKHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C | CAS Common Chemistry |
| Name | 4-Hydroxybenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | 0.039600000000000246 | RDKit |
| Molar Refractivity | 39.48000000000002 | RDKit |
