Basic information
- CAS
613657-97-9- Standard SMILES
O=C(O)CCCNS(=O)(=O)c1ccccc1C(F)(F)F- InChIKey
VOSKFJRFTNXBJW-UHFFFAOYSA-N- Molecular formula
- C11H12F3NO4S
- Average molar mass
- 311.28 g/mol
- Monoisotopic mass
- 311.04391352
Names & identifiers
- Preferred name
- 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid
- IUPAC
- 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
Names & synonyms
613657-97-94-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acidButanoic acid, 4-[[[2-(trifluoromethyl)phenyl]sulfonyl]amino]-4-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)butanoic acidDTXSID201190670AKOS002217936ST501342594-{[2-(Trifluoromethyl)benzene-1-sulfonyl]amino}butanoic acid
Database identifiers
- CAS
613657-97-9- PubChem CID
- 4480366
- DTXSID
DTXSID201190670
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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