1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene

C22H20O2S — CID 10882589

IUPAC1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-11-15-22(16-12-18)25(23,24)17-21-10-6-5-9-20(21)14-13-19-7-3-2-4-8-19/h2-16H,17H2,1H3/b14-13+
InChIKeyDGBNGGKCHOBLAK-BUHFOSPRSA-N
MW348.47 g/mol
LogP5.14
Rot. Bonds5

About 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene

1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene (PubChem CID 10882589) has the molecular formula C22H20O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
PubChem CID10882589
Molecular FormulaC22H20O2S
Molecular Weight348.47 g/mol
Exact Mass348.12
IUPAC Name1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-11-15-22(16-12-18)25(23,24)17-21-10-6-5-9-20(21)14-13-19-7-3-2-4-8-19/h2-16H,17H2,1H3/b14-13+
InChIKeyDGBNGGKCHOBLAK-BUHFOSPRSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
4-[[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]aniline
CID 162078157
5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 158675985
trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
CID 14935093
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate
CID 10883582
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 162078160
2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile
CID 170560532
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-methylbenzenesulfonate;[(E)-3-phenylprop-2-enyl]azanium
CID 10542631
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
CID 143322291

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene (CID 10882589) is 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene is Cc1ccc(S(=O)(=O)Cc2ccccc2/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is DGBNGGKCHOBLAK-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H20O2S/c1-18-11-15-22(16-12-18)25(23,24)17-21-10-6-5-9-20(21)14-13-19-7-3-2-4-8-19/h2-16H,17H2,1H3/b14-13+.
What are the key properties of 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene?
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene has a molecular weight of 348.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 10882589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).