4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid
Basic information
- CAS
79094-23-8- Standard SMILES
CS(=O)(=O)NCCc1ccc(CC(=O)O)cc1- InChIKey
RCMFIKLPTGCHAZ-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- 4-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acid
- IUPAC
- 2-[4-[2-(methanesulfonamido)ethyl]phenyl]acetic acid
Names & synonyms
79094-23-84-[2-[(Methylsulfonyl)amino]ethyl]benzeneacetic acidSCHEMBL11109419DTXSID001217519(4-{2-[(Methanesulfonyl)amino]ethyl}phenyl)acetic acid
Database identifiers
- CAS
79094-23-8- PubChem CID
- 12945840
- DTXSID
DTXSID001217519
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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