4-(2-phenylethenylsulfonyl)benzonitrile

C15H11NO2S — CID 70224681

IUPAC4-(2-phenylethenylsulfonyl)benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO2S/c16-12-14-6-8-15(9-7-14)19(17,18)11-10-13-4-2-1-3-5-13/h1-11H
InChIKeyOJUUTUWIDPYTHD-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.00
Rot. Bonds3

About 4-(2-phenylethenylsulfonyl)benzonitrile

4-(2-phenylethenylsulfonyl)benzonitrile (PubChem CID 70224681) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(2-phenylethenylsulfonyl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenylethenylsulfonyl)benzonitrile
PubChem CID70224681
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-(2-phenylethenylsulfonyl)benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO2S/c16-12-14-6-8-15(9-7-14)19(17,18)11-10-13-4-2-1-3-5-13/h1-11H
InChIKeyOJUUTUWIDPYTHD-UHFFFAOYSA-N
XLogP3.00
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide
CID 70250762
4-[[4-(2-phenylethenyl)phenyl]sulfonylmethyl]benzonitrile
CID 175320678
[(E)-2-[(E)-2-(benzenesulfonyl)ethenyl]sulfonylethenyl]benzene
CID 15531132
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907
1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
methyl 4-[(E)-2-phenylethenyl]sulfonylbenzoate
CID 21252055
CID 159387083
CID 159387083
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenylsulfonyl)benzonitrile?
The IUPAC name of 4-(2-phenylethenylsulfonyl)benzonitrile (CID 70224681) is 4-(2-phenylethenylsulfonyl)benzonitrile.
What is the SMILES notation for 4-(2-phenylethenylsulfonyl)benzonitrile?
The canonical SMILES for 4-(2-phenylethenylsulfonyl)benzonitrile is N#Cc1ccc(S(=O)(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethenylsulfonyl)benzonitrile?
The InChIKey is OJUUTUWIDPYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c16-12-14-6-8-15(9-7-14)19(17,18)11-10-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 4-(2-phenylethenylsulfonyl)benzonitrile?
4-(2-phenylethenylsulfonyl)benzonitrile has a molecular weight of 269.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenylsulfonyl)benzonitrile is sourced from PubChem (CID 70224681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).