2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile

HCID 486357
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Basic information

Standard SMILES
Cc1cc(C)cc(S(=O)(=O)c2cccc(F)c2C#N)c1
InChIKey
IIJZOAOJOVESFL-UHFFFAOYSA-N
Molecular formula
C15H12FNO2S
Average molar mass
289.3 g/mol
Monoisotopic mass
289.05727796

Names & identifiers

Preferred name
2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile
IUPAC
2-(3,5-dimethylphenyl)sulfonyl-6-fluorobenzonitrile

Names & synonyms

CHEMBL54166SCHEMBL8410056IIJZOAOJOVESFL-UHFFFAOYSA-N2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile2-(3,5-dimethylphenyl)sulfonyl-6-fluoro-benzonitrile2-[(3,5-dimethylphenyl)sulfonyl]-6-fluorobenzonitrile

Database identifiers

PubChem CID
486357
ChEMBL
CHEMBL54166

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

3 records
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Compound notes

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