2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone

C12H9FO4S — CID 64642534

IUPAC2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H9FO4S/c13-9-4-1-2-6-12(9)18(15,16)8-10(14)11-5-3-7-17-11/h1-7H,8H2
InChIKeyNAAGNIHJAFYZCM-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone

2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone (PubChem CID 64642534) has the molecular formula C12H9FO4S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
PubChem CID64642534
Molecular FormulaC12H9FO4S
Molecular Weight268.26 g/mol
Exact Mass268.02
IUPAC Name2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H9FO4S/c13-9-4-1-2-6-12(9)18(15,16)8-10(14)11-5-3-7-17-11/h1-7H,8H2
InChIKeyNAAGNIHJAFYZCM-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64643102
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
CID 64642533
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
CID 64642000
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767579
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
CID 75527706
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
CID 166512201
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31820162
1-(4-bromo-2-fluorophenyl)-3-(furan-2-yl)propane-1,3-dione
CID 82966938

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone (CID 64642534) is 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The InChIKey is NAAGNIHJAFYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO4S/c13-9-4-1-2-6-12(9)18(15,16)8-10(14)11-5-3-7-17-11/h1-7H,8H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone has a molecular weight of 268.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone is sourced from PubChem (CID 64642534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).