3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one

C19H16O4S — CID 11290755

IUPAC3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one
SMILESC=CCC1(c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C19H16O4S/c1-2-13-19(15-9-5-3-6-10-15)14-17(18(20)23-19)24(21,22)16-11-7-4-8-12-16/h2-12,14H,1,13H2
InChIKeyBNHZCADGSQISQL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.37
Rot. Bonds5

About 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one

3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one (PubChem CID 11290755) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one
PubChem CID11290755
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one
SMILESC=CCC1(c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C19H16O4S/c1-2-13-19(15-9-5-3-6-10-15)14-17(18(20)23-19)24(21,22)16-11-7-4-8-12-16/h2-12,14H,1,13H2
InChIKeyBNHZCADGSQISQL-UHFFFAOYSA-N
XLogP3.37
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-5-phenyl-5-prop-2-enylfuran-3-carboxylic acid
CID 53423826
(6R)-6-phenyl-6-prop-2-enyl-2,3-dihydropyran
CID 101164561
2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
3-(benzenesulfonyl)-4,5,5-trimethylfuran-2-one
CID 12709521
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
3-methyl-4-phenyl-4-prop-2-enyl-1,2-oxazol-5-one
CID 102228138
5-(bromomethyl)-3,3-diphenylfuran-2-one
CID 10359187
(113C)ethenylsulfonylbenzene
CID 66995821
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
cerium;prop-2-enyl benzenesulfonate
CID 174496226
1a-prop-2-enyl-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 134862807

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one?
The IUPAC name of 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one (CID 11290755) is 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one is C=CCC1(c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)O1.
What is the InChIKey of 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one?
The InChIKey is BNHZCADGSQISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-2-13-19(15-9-5-3-6-10-15)14-17(18(20)23-19)24(21,22)16-11-7-4-8-12-16/h2-12,14H,1,13H2.
What are the key properties of 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one?
3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-phenyl-5-prop-2-enylfuran-2-one is sourced from PubChem (CID 11290755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).