1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene

C22H20O2S — CID 11371478

IUPAC1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-12-15-21(16-13-18)25(23,24)22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22H,1H3/b17-14+
InChIKeyAQZHDBHVKNISCQ-SAPNQHFASA-N
MW348.47 g/mol
LogP5.22
Rot. Bonds5

About 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene

1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene (PubChem CID 11371478) has the molecular formula C22H20O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene
PubChem CID11371478
Molecular FormulaC22H20O2S
Molecular Weight348.47 g/mol
Exact Mass348.12
IUPAC Name1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-12-15-21(16-13-18)25(23,24)22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22H,1H3/b17-14+
InChIKeyAQZHDBHVKNISCQ-SAPNQHFASA-N
XLogP5.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
2-Naphthyl-p-tolyl sulfone
CID 518736
Etarotene
CID 6435463
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene (CID 11371478) is 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C(/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene?
The InChIKey is AQZHDBHVKNISCQ-SAPNQHFASA-N. The full InChI is InChI=1S/C22H20O2S/c1-18-12-15-21(16-13-18)25(23,24)22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22H,1H3/b17-14+.
What are the key properties of 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene?
1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene has a molecular weight of 348.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 11371478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).