Basic information
- Standard SMILES
CS(=O)(=O)Nc1cc(O)ccc1Oc1ccccc1- InChIKey
SVSODVOJKCYYMI-UHFFFAOYSA-N- Molecular formula
- C13H13NO4S
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.05652907
Names & identifiers
- Preferred name
- 3-Methylsulfonylamino-4-phenoxyphenol
- IUPAC
- N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide
Names & synonyms
123664-39-1Iguratimod Impurity 112SCHEMBL10417277SVSODVOJKCYYMI-UHFFFAOYSA-N3-methylsulfonylamino-4-phenoxyphenolN-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 14722267
Properties
Computed structural properties
- XLogP
- 2.4
- 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
Related reactions
4 records
Compound notes
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