N-(4-hydroxy-2-methoxyphenyl)benzenesulfonamide
Basic information
- CAS
50994-50-8- Standard SMILES
COc1cc(O)ccc1NS(=O)(=O)c1ccccc1- InChIKey
DGAUCIDGZUNHMO-UHFFFAOYSA-N- Molecular formula
- C13H13NO4S
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.05652907
Names & identifiers
- Preferred name
- N-(4-hydroxy-2-methoxyphenyl)benzenesulfonamide
- IUPAC
- N-(4-hydroxy-2-methoxyphenyl)benzenesulfonamide
- English name
- Benzenesulfonamide, N-(4-hydroxy-2-methoxyphenyl)-
- Molecular formula
- C13H13NO4S
- Molecular weight
- 279.31
Names & synonyms
N-(4-hydroxy-2-methoxyphenyl)benzenesulfonamide50994-50-8Oprea1_021642Oprea1_129383Benzenesulfonamide, N-(4-hydroxy-2-methoxyphenyl)-DTXSID00391223AKOS003625136
Database identifiers
- CAS
50994-50-8- PubChem CID
- 3301162
- DTXSID
DTXSID00391223
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 482.3 · 482.3±55.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 9.6 · 9.60±0.31(Predicted)
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Compound notes
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