1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene

C22H20O2S — CID 102129637

IUPAC1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
SMILESCc1ccc(/C(=C\S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-17-8-12-20(13-9-17)22(19-6-4-3-5-7-19)16-25(23,24)21-14-10-18(2)11-15-21/h3-16H,1-2H3/b22-16-
InChIKeyMWUSRLNYCLEYII-JWGURIENSA-N
MW348.47 g/mol
LogP5.17
Rot. Bonds4

About 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene

1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene (PubChem CID 102129637) has the molecular formula C22H20O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
PubChem CID102129637
Molecular FormulaC22H20O2S
Molecular Weight348.47 g/mol
Exact Mass348.12
IUPAC Name1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
SMILESCc1ccc(/C(=C\S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-17-8-12-20(13-9-17)22(19-6-4-3-5-7-19)16-25(23,24)21-14-10-18(2)11-15-21/h3-16H,1-2H3/b22-16-
InChIKeyMWUSRLNYCLEYII-JWGURIENSA-N
XLogP5.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
CID 24972823
1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
CID 10671713
2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
CID 101497449
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
(1Z,3E)-1-(4-methylphenyl)sulfonyl-4-phenylbuta-1,3-dien-2-olate
CID 134098337
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene
CID 19869938
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea
CID 22750889
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
CID 141461205
1-methyl-4-(2-methylbuta-1,3-dienylsulfonyl)benzene
CID 85299579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene?
The IUPAC name of 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene (CID 102129637) is 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene is Cc1ccc(/C(=C\S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene?
The InChIKey is MWUSRLNYCLEYII-JWGURIENSA-N. The full InChI is InChI=1S/C22H20O2S/c1-17-8-12-20(13-9-17)22(19-6-4-3-5-7-19)16-25(23,24)21-14-10-18(2)11-15-21/h3-16H,1-2H3/b22-16-.
What are the key properties of 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene?
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene has a molecular weight of 348.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene is sourced from PubChem (CID 102129637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).