2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone

C12H9FO4S — CID 64643102

IUPAC2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C12H9FO4S/c13-9-3-5-10(6-4-9)18(15,16)8-11(14)12-2-1-7-17-12/h1-7H,8H2
InChIKeyPFFDXZABAXJSRJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone

2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone (PubChem CID 64643102) has the molecular formula C12H9FO4S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
PubChem CID64643102
Molecular FormulaC12H9FO4S
Molecular Weight268.26 g/mol
Exact Mass268.02
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C12H9FO4S/c13-9-3-5-10(6-4-9)18(15,16)8-11(14)12-2-1-7-17-12/h1-7H,8H2
InChIKeyPFFDXZABAXJSRJ-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

1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
2-(2-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64642534
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(furan-2-yl)ethanone
CID 64642000
4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 9476624
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767579
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide
CID 86992771
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone (CID 64643102) is 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone is O=C(CS(=O)(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
The InChIKey is PFFDXZABAXJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO4S/c13-9-3-5-10(6-4-9)18(15,16)8-11(14)12-2-1-7-17-12/h1-7H,8H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone?
2-(4-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-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone is sourced from PubChem (CID 64643102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).