1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone

C14H10O4S2 — CID 64644105

IUPAC1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C14H10O4S2/c15-11(9-20(16,17)14-6-3-7-19-14)13-8-10-4-1-2-5-12(10)18-13/h1-8H,9H2
InChIKeyBZHZIZSGCABPOT-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.15
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone

1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone (PubChem CID 64644105) has the molecular formula C14H10O4S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
PubChem CID64644105
Molecular FormulaC14H10O4S2
Molecular Weight306.36 g/mol
Exact Mass306.00
IUPAC Name1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C14H10O4S2/c15-11(9-20(16,17)14-6-3-7-19-14)13-8-10-4-1-2-5-12(10)18-13/h1-8H,9H2
InChIKeyBZHZIZSGCABPOT-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(2-methylbutylsulfonyl)ethanone
CID 107767760
(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
CID 7194073
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850207
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone (CID 64644105) is 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone is O=C(CS(=O)(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone?
The InChIKey is BZHZIZSGCABPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S2/c15-11(9-20(16,17)14-6-3-7-19-14)13-8-10-4-1-2-5-12(10)18-13/h1-8H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone?
1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone has a molecular weight of 306.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone is sourced from PubChem (CID 64644105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).