[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene

C16H16O3S — CID 15309666

IUPAC[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
SMILESCCO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-19-13-16(14-9-5-3-6-10-14)20(17,18)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKeyVRHSMBJMMCVSCS-SSZFMOIBSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds5

About [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene

[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene (PubChem CID 15309666) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
PubChem CID15309666
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
SMILESCCO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-19-13-16(14-9-5-3-6-10-14)20(17,18)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKeyVRHSMBJMMCVSCS-SSZFMOIBSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
1-Methyl-4-({3-[(4-methylphenyl)sulfonyl]-1-propenyl}sulfonyl)benzene
CID 997348
p,p'-Dicumylsulfone
CID 93843
1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)benzene
CID 10472572
1-[(E)-2-benzylsulfonylethenyl]sulfanyl-4-methylbenzene
CID 44156985
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
3-Methylphenyl phenyl sulfone
CID 221136
1-[(E)-1-ethyl-2-phenylvinyl]-4-(methylsulfonyl)benzene
CID 44394298

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene (CID 15309666) is [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene is CCO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene?
The InChIKey is VRHSMBJMMCVSCS-SSZFMOIBSA-N. The full InChI is InChI=1S/C16H16O3S/c1-2-19-13-16(14-9-5-3-6-10-14)20(17,18)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-.
What are the key properties of [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene?
[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene has a molecular weight of 288.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene is sourced from PubChem (CID 15309666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).