1-phenyl-2-prop-2-enylsulfonylbenzene

C15H14O2S — CID 68657495

IUPAC1-phenyl-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H14O2S/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyCQQNTUPFSJDTAW-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.31
Rot. Bonds4

About 1-phenyl-2-prop-2-enylsulfonylbenzene

1-phenyl-2-prop-2-enylsulfonylbenzene (PubChem CID 68657495) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-phenyl-2-prop-2-enylsulfonylbenzene.

Molecular Properties

Compound Name1-phenyl-2-prop-2-enylsulfonylbenzene
PubChem CID68657495
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-phenyl-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H14O2S/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyCQQNTUPFSJDTAW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-prop-2-enylsulfonylbenzene?
The IUPAC name of 1-phenyl-2-prop-2-enylsulfonylbenzene (CID 68657495) is 1-phenyl-2-prop-2-enylsulfonylbenzene.
What is the SMILES notation for 1-phenyl-2-prop-2-enylsulfonylbenzene?
The canonical SMILES for 1-phenyl-2-prop-2-enylsulfonylbenzene is C=CCS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-prop-2-enylsulfonylbenzene?
The InChIKey is CQQNTUPFSJDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2.
What are the key properties of 1-phenyl-2-prop-2-enylsulfonylbenzene?
1-phenyl-2-prop-2-enylsulfonylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-prop-2-enylsulfonylbenzene is sourced from PubChem (CID 68657495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).