2,4-Bis(hydroxyethylsulfonylmethyl)aniline
Basic information
- Standard SMILES
Nc1ccc(CS(=O)(=O)CCO)cc1CS(=O)(=O)CCO- InChIKey
ATWTVJXBMBRGAV-UHFFFAOYSA-N- Molecular formula
- C12H19NO6S2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.06537967
Names & identifiers
- Preferred name
- 2,4-Bis(hydroxyethylsulfonylmethyl)aniline
- IUPAC
- 2-[[4-amino-3-(2-hydroxyethylsulfonylmethyl)phenyl]methylsulfonyl]ethanol
Names & synonyms
SCHEMBL9574315ATWTVJXBMBRGAV-UHFFFAOYSA-N2,4-bis(hydroxyethylsulfonylmethyl)aniline
Database identifiers
- PubChem CID
- 53661941
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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