1-prop-2-enylsulfonylindole

C11H11NO2S — CID 68977860

IUPAC1-prop-2-enylsulfonylindole
SMILESC=CCS(=O)(=O)n1ccc2ccccc21
InChIInChI=1S/C11H11NO2S/c1-2-9-15(13,14)12-8-7-10-5-3-4-6-11(10)12/h2-8H,1,9H2
InChIKeyUOZARCROKLUUSV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.01
Rot. Bonds3

About 1-prop-2-enylsulfonylindole

1-prop-2-enylsulfonylindole (PubChem CID 68977860) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylindole.

Molecular Properties

Compound Name1-prop-2-enylsulfonylindole
PubChem CID68977860
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-prop-2-enylsulfonylindole
SMILESC=CCS(=O)(=O)n1ccc2ccccc21
InChIInChI=1S/C11H11NO2S/c1-2-9-15(13,14)12-8-7-10-5-3-4-6-11(10)12/h2-8H,1,9H2
InChIKeyUOZARCROKLUUSV-UHFFFAOYSA-N
XLogP2.01
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-prop-2-enylsulfonylindole?
The IUPAC name of 1-prop-2-enylsulfonylindole (CID 68977860) is 1-prop-2-enylsulfonylindole.
What is the SMILES notation for 1-prop-2-enylsulfonylindole?
The canonical SMILES for 1-prop-2-enylsulfonylindole is C=CCS(=O)(=O)n1ccc2ccccc21.
What is the InChIKey of 1-prop-2-enylsulfonylindole?
The InChIKey is UOZARCROKLUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-9-15(13,14)12-8-7-10-5-3-4-6-11(10)12/h2-8H,1,9H2.
What are the key properties of 1-prop-2-enylsulfonylindole?
1-prop-2-enylsulfonylindole has a molecular weight of 221.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylindole is sourced from PubChem (CID 68977860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).