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

C15H14O3S — CID 12555308

IUPAC[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
SMILESCO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-18-12-15(13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-12H,1H3/b15-12-
InChIKeyPJBIIGGRHBQSJA-QINSGFPZSA-N
MW274.34 g/mol
LogP3.11
Rot. Bonds4

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

[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene (PubChem CID 12555308) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
PubChem CID12555308
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
SMILESCO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-18-12-15(13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-12H,1H3/b15-12-
InChIKeyPJBIIGGRHBQSJA-QINSGFPZSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene (CID 12555308) is [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene is CO/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene?
The InChIKey is PJBIIGGRHBQSJA-QINSGFPZSA-N. The full InChI is InChI=1S/C15H14O3S/c1-18-12-15(13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-12H,1H3/b15-12-.
What are the key properties of [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene?
[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene has a molecular weight of 274.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene is sourced from PubChem (CID 12555308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).