3-({4-[(E)-2-(4-fluorophenyl)vinyl]phenyl}sulfonyl)propanenitrile

HCID 21099490
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Basic information

Standard SMILES
N#CCCS(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIKey
UITPIGKTXZDCFQ-NSCUHMNNSA-N
Molecular formula
C17H14FNO2S
Average molar mass
315.4 g/mol

Names & identifiers

Preferred name
3-({4-[(E)-2-(4-fluorophenyl)vinyl]phenyl}sulfonyl)propanenitrile
IUPAC
3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpropanenitrile

Names & synonyms

SCHEMBL3162247UITPIGKTXZDCFQ-NSCUHMNNSA-N3-({4-[(E)-2-(4-fluorophenyl)vinyl]phenyl}sulfonyl)propanenitrile

Database identifiers

PubChem CID
21099490

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

4 records
New reaction record

Compound notes

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