1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone

C13H14O4S — CID 64635615

IUPAC1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)c1coc2ccccc12
InChIInChI=1S/C13H14O4S/c1-9(2)18(15,16)8-12(14)11-7-17-13-6-4-3-5-10(11)13/h3-7,9H,8H2,1-2H3
InChIKeyHIVUZMFNLPGATC-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.44
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone

1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone (PubChem CID 64635615) has the molecular formula C13H14O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
PubChem CID64635615
Molecular FormulaC13H14O4S
Molecular Weight266.32 g/mol
Exact Mass266.06
IUPAC Name1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)c1coc2ccccc12
InChIInChI=1S/C13H14O4S/c1-9(2)18(15,16)8-12(14)11-7-17-13-6-4-3-5-10(11)13/h3-7,9H,8H2,1-2H3
InChIKeyHIVUZMFNLPGATC-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
1-(1-benzofuran-3-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659750
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone (CID 64635615) is 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone is CC(C)S(=O)(=O)CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone?
The InChIKey is HIVUZMFNLPGATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4S/c1-9(2)18(15,16)8-12(14)11-7-17-13-6-4-3-5-10(11)13/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone?
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone has a molecular weight of 266.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 64635615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).