Basic information
- Standard SMILES
C=C(C(=O)O)N(CC)S(=O)(=O)c1ccc(F)cc1- InChIKey
YNHHNJSTKJGVJU-UHFFFAOYSA-N- Molecular formula
- C11H12FNO4S
- Average molar mass
- 273.28 g/mol
Names & identifiers
- Preferred name
- 2-[Ethyl-(4-fluorophenyl)sulfonyl-amino]prop-2-enoic acid
- IUPAC
- 2-[ethyl-(4-fluorophenyl)sulfonylamino]prop-2-enoic acid
Names & synonyms
SCHEMBL16004883YNHHNJSTKJGVJU-UHFFFAOYSA-N2-[ethyl-(4-fluorophenyl)sulfonyl-amino]prop-2-enoic acid
Database identifiers
- PubChem CID
- 90384201
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 421
Related reactions
9 records
Compound notes
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