1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene

C16H16O3S — CID 138974571

IUPAC1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C=C/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-5,7-13H,6H2,1H3/b13-5+
InChIKeyJXQWBCZSVOKPCU-WLRTZDKTSA-N
MW288.37 g/mol
LogP3.23
Rot. Bonds5

About 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene

1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene (PubChem CID 138974571) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
PubChem CID138974571
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C=C/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-5,7-13H,6H2,1H3/b13-5+
InChIKeyJXQWBCZSVOKPCU-WLRTZDKTSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene (CID 138974571) is 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene is COc1ccc(C/C=C/S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene?
The InChIKey is JXQWBCZSVOKPCU-WLRTZDKTSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-5,7-13H,6H2,1H3/b13-5+.
What are the key properties of 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene?
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene has a molecular weight of 288.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene is sourced from PubChem (CID 138974571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).