Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)CCO)c1- InChIKey
JXUMLJKDADCYMP-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.09364285
Names & identifiers
- Preferred name
- 2-[5-Nitro-2-(2-phenylethylamino)phenyl]sulfonylethanol
- IUPAC
- 2-[5-nitro-2-(2-phenylethylamino)phenyl]sulfonylethanol
Names & synonyms
SCHEMBL9878288
Database identifiers
- PubChem CID
- 13628651
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
1 records
Compound notes
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