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

C12H10O4S — CID 11218904

IUPAC2-(benzenesulfonyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C12H10O4S/c13-11(12-7-4-8-16-12)9-17(14,15)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCIXBMSHSSORJIT-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.94
Rot. Bonds4

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

2-(benzenesulfonyl)-1-(furan-2-yl)ethanone (PubChem CID 11218904) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(furan-2-yl)ethanone
PubChem CID11218904
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name2-(benzenesulfonyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C12H10O4S/c13-11(12-7-4-8-16-12)9-17(14,15)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCIXBMSHSSORJIT-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone (CID 11218904) is 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccco1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone?
The InChIKey is CIXBMSHSSORJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-11(12-7-4-8-16-12)9-17(14,15)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone?
2-(benzenesulfonyl)-1-(furan-2-yl)ethanone has a molecular weight of 250.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 11218904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).