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Molecule
4-Hydroxybenzenesulfonamide
CAS: 1576-43-8 · C6H7NO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1576-43-8
- Molecular Formula
- C6H7NO3S
- Molecular Mass
- 173.19 g/mol
Identifiers
CAS Registry Number
1576-43-8
SMILES
NS(=O)(=O)c1ccc(O)cc1
InChI Key
DIRCLGLKRZLKHG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)
Names and Synonyms
- 4-Hydroxybenzenesulfonamide Synonym
- Benzenesulfonamide, 4-hydroxy- Synonym
- Benzenesulfonamide, p-hydroxy- Synonym
- 1-Phenol-4-sulfonamide Synonym
- 4-Hydroxybenzenesulfonamide Synonym
- p-Hydroxybenzenesulfonamide Synonym
- 4-Sulfamoylphenol Synonym
- p-Phenolsulfonamide Synonym
- NSC 20848 Synonym
- 4-Hydroxybenzene-1-sulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.19 g/mol | CAS Common Chemistry |
| 173.19299999999998 g/mol | RDKit | |
| 173.193 g/mol | RDKit | |
| 173.186 g/mol | chempirical lib | |
| 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 |
| 0.0396 | RDKit | |
| Molar Refractivity | 39.48000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.014664084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 173.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO3S.
