Basic information
- CAS
180905-86-6- Standard SMILES
O=C(O)c1cccn1S(=O)(=O)c1ccccc1F- InChIKey
WDTCGKUXRJFGOG-UHFFFAOYSA-N- Molecular formula
- C11H8FNO4S
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.01580707
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-
- IUPAC
- 1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acid
Names & synonyms
180905-86-61H-Pyrrole-2-carboxylic acid, 1-((2-fluorophenyl)sulfonyl)-1-((2-Fluorophenyl)sulfonyl)-1H-pyrrole-2-carboxylic acid1-[(2-Fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylic acid1H-Pyrrole-2-carboxylic acid, 1-[(2-fluorophenyl)sulfonyl]-1-(2-fluorophenyl)sulfonylpyrrole-2-carboxylic acidCHEMBL151869DTXSID301710301-(2-Fluorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
Database identifiers
- CAS
180905-86-6- PubChem CID
- 464844
- DTXSID
DTXSID30171030- ChEMBL
CHEMBL151869- Nikkaji
- J731.750F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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