2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone

C16H12O3S — CID 64636092

IUPAC2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1coc2ccccc12
InChIInChI=1S/C16H12O3S/c17-15(11-20(18)12-6-2-1-3-7-12)14-10-19-16-9-5-4-8-13(14)16/h1-10H,11H2
InChIKeyVNXJSMVAGAAVPI-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.42
Rot. Bonds4

About 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone

2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone (PubChem CID 64636092) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
PubChem CID64636092
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1coc2ccccc12
InChIInChI=1S/C16H12O3S/c17-15(11-20(18)12-6-2-1-3-7-12)14-10-19-16-9-5-4-8-13(14)16/h1-10H,11H2
InChIKeyVNXJSMVAGAAVPI-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637839
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
2-(1-benzofuran-3-yl)-2-diazoacetic acid
CID 123632265
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-[methyl(propan-2-yl)amino]ethanone
CID 43794594
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
2-(benzenesulfinyl)acetate
CID 23432658
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone (CID 64636092) is 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone is O=C(CS(=O)c1ccccc1)c1coc2ccccc12.
What is the InChIKey of 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone?
The InChIKey is VNXJSMVAGAAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c17-15(11-20(18)12-6-2-1-3-7-12)14-10-19-16-9-5-4-8-13(14)16/h1-10H,11H2.
What are the key properties of 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone?
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone has a molecular weight of 284.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 64636092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).