{[1-(2,4-Dichlorophenyl)vinyl]sulfonyl}benzene

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Basic information

CAS: 667452-66-6
Standard SMILES: C=C(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIKey: YYNIROAIFQEHCA-UHFFFAOYSA-N
Molecular formula: C14H10Cl2O2S
Average molar mass: 313.2 g/mol
Monoisotopic mass: 311.9778561

Names & identifiers

Preferred name: {[1-(2,4-Dichlorophenyl)vinyl]sulfonyl}benzene
IUPAC: 1-[1-(benzenesulfonyl)ethenyl]-2,4-dichlorobenzene

Names & synonyms

{[1-(2,4-dichlorophenyl)vinyl]sulfonyl}benzeneSCHEMBL2910285YYNIROAIFQEHCA-UHFFFAOYSA-NDTXSID201233608667452-66-61-[1-(benzenesulfonyl)ethenyl]-2,4-dichlorobenzene2,4-Dichloro-1-[1-(phenylsulfonyl)ethenyl]benzene

Database identifiers

CAS: 667452-66-6
PubChem CID: 58914799
DTXSID: DTXSID201233608

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 421

Related reactions

3 records

New reaction record

HRID 1297502As productuspto-grants-2007_07

HRID 1551166As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2242024As productuspto-grants-2010_03

Compound notes

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