2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone

C16H12O4S — CID 15146467

IUPAC2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12O4S/c17-14(11-21(18,19)13-7-2-1-3-8-13)16-10-12-6-4-5-9-15(12)20-16/h1-10H,11H2
InChIKeyOHCULCBYAYIHIE-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.09
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone

2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone (PubChem CID 15146467) has the molecular formula C16H12O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone
PubChem CID15146467
Molecular FormulaC16H12O4S
Molecular Weight300.34 g/mol
Exact Mass300.05
IUPAC Name2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12O4S/c17-14(11-21(18,19)13-7-2-1-3-8-13)16-10-12-6-4-5-9-15(12)20-16/h1-10H,11H2
InChIKeyOHCULCBYAYIHIE-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone (CID 15146467) is 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone?
The InChIKey is OHCULCBYAYIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4S/c17-14(11-21(18,19)13-7-2-1-3-8-13)16-10-12-6-4-5-9-15(12)20-16/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone?
2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone has a molecular weight of 300.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 15146467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).