2-(benzenesulfonyl)-3-prop-2-enyloxirane

C11H12O3S — CID 46901479

IUPAC2-(benzenesulfonyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
InChIKeyQZBOHFVOTINHSK-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.76
Rot. Bonds4

About 2-(benzenesulfonyl)-3-prop-2-enyloxirane

2-(benzenesulfonyl)-3-prop-2-enyloxirane (PubChem CID 46901479) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-prop-2-enyloxirane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-prop-2-enyloxirane
PubChem CID46901479
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name2-(benzenesulfonyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
InChIKeyQZBOHFVOTINHSK-UHFFFAOYSA-N
XLogP1.76
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Propen-1-ylsulfonyl)benzene
CID 85330
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
CID 2831158
Methoxymethyl Phenyl Sulfone
CID 366072
Cyclopropanesulphonylbenzene
CID 11309899
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Phenylsulfonyl)ethanol
CID 30202
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
Phenylsulfonylacetone
CID 735827
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
Phenyl 3-butenyl sulfone
CID 10867248
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-(Benzenesulfonylmethyl)thiirane
CID 15921047

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-prop-2-enyloxirane?
The IUPAC name of 2-(benzenesulfonyl)-3-prop-2-enyloxirane (CID 46901479) is 2-(benzenesulfonyl)-3-prop-2-enyloxirane.
What is the SMILES notation for 2-(benzenesulfonyl)-3-prop-2-enyloxirane?
The canonical SMILES for 2-(benzenesulfonyl)-3-prop-2-enyloxirane is C=CCC1OC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-prop-2-enyloxirane?
The InChIKey is QZBOHFVOTINHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2.
What are the key properties of 2-(benzenesulfonyl)-3-prop-2-enyloxirane?
2-(benzenesulfonyl)-3-prop-2-enyloxirane has a molecular weight of 224.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-prop-2-enyloxirane is sourced from PubChem (CID 46901479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).