5-(2-fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrole-3-carbaldehyde

HCID 86623974
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Basic information

Standard SMILES
O=Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccccc2)c1
InChIKey
VUVMSJUWXXANJJ-UHFFFAOYSA-N
Molecular formula
C16H11FN2O3S
Average molar mass
330.3 g/mol
Monoisotopic mass
330.04744155

Names & identifiers

Preferred name
5-(2-fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrole-3-carbaldehyde
IUPAC
1-(benzenesulfonyl)-5-(2-fluoro-3-pyridinyl)pyrrole-3-carbaldehyde

Names & synonyms

SCHEMBL1278538VUVMSJUWXXANJJ-UHFFFAOYSA-N5-(2-fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrole-3-carbaldehyde

Database identifiers

PubChem CID
86623974

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
77.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

18 records
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Compound notes

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