[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene

C15H14O2S — CID 1482405

IUPAC[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene
SMILESO=S(=O)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKeyAWOQCRQDXFVJPL-JXMROGBWSA-N
MW258.34 g/mol
LogP3.17
Rot. Bonds4

About [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene

[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene (PubChem CID 1482405) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene
PubChem CID1482405
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene
SMILESO=S(=O)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKeyAWOQCRQDXFVJPL-JXMROGBWSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene (CID 1482405) is [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene is O=S(=O)(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene?
The InChIKey is AWOQCRQDXFVJPL-JXMROGBWSA-N. The full InChI is InChI=1S/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+.
What are the key properties of [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene?
[(E)-3-(benzenesulfonyl)prop-1-enyl]benzene has a molecular weight of 258.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene is sourced from PubChem (CID 1482405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).