1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene

C15H14O2S — CID 757561

IUPAC1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyPIALZYNUNCIZLT-VAWYXSNFSA-N
MW258.34 g/mol
LogP3.44
Rot. Bonds3

About 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene

1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene (PubChem CID 757561) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
PubChem CID757561
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyPIALZYNUNCIZLT-VAWYXSNFSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene (CID 757561) is 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The InChIKey is PIALZYNUNCIZLT-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+.
What are the key properties of 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene?
1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene is sourced from PubChem (CID 757561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).