2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one

C19H18O4S — CID 135027585

IUPAC2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=CC(C(CCc2ccccc2)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C19H18O4S/c20-19-14-12-17(23-19)18(13-11-15-7-3-1-4-8-15)24(21,22)16-9-5-2-6-10-16/h1-10,12,14,17-18H,11,13H2
InChIKeyIYEAZWCHWHWOEX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.94
Rot. Bonds6

About 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one

2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one (PubChem CID 135027585) has the molecular formula C19H18O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one
PubChem CID135027585
Molecular FormulaC19H18O4S
Molecular Weight342.42 g/mol
Exact Mass342.09
IUPAC Name2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one
SMILESO=C1C=CC(C(CCc2ccccc2)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C19H18O4S/c20-19-14-12-17(23-19)18(13-11-15-7-3-1-4-8-15)24(21,22)16-9-5-2-6-10-16/h1-10,12,14,17-18H,11,13H2
InChIKeyIYEAZWCHWHWOEX-UHFFFAOYSA-N
XLogP2.94
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one (CID 135027585) is 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one is O=C1C=CC(C(CCc2ccccc2)S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one?
The InChIKey is IYEAZWCHWHWOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4S/c20-19-14-12-17(23-19)18(13-11-15-7-3-1-4-8-15)24(21,22)16-9-5-2-6-10-16/h1-10,12,14,17-18H,11,13H2.
What are the key properties of 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one?
2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one has a molecular weight of 342.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-phenylpropyl]-2H-furan-5-one is sourced from PubChem (CID 135027585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).