3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one

C17H13FO4S — CID 10471937

IUPAC3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-10,16H,1H3
InChIKeyBYTHPCPJUYKZHG-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.91
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one

3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one (PubChem CID 10471937) has the molecular formula C17H13FO4S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one
PubChem CID10471937
Molecular FormulaC17H13FO4S
Molecular Weight332.35 g/mol
Exact Mass332.05
IUPAC Name3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-10,16H,1H3
InChIKeyBYTHPCPJUYKZHG-UHFFFAOYSA-N
XLogP2.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5090
Sulindac Sulfone
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5,5-dimethyl-3-(3-fluorophenyl)-4-(4-methylsulfonyl)phenyl-2(5H)-furanone
CID 9906892
MF-tricyclic
CID 127923
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CID 6158261
4-(4-(Methylsulfonyl)phenyl)-3-(P-tolyl)furan-2(5H)-one
CID 6426686
3-(3-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one
CID 9923656
2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-
CID 10830394
3-(4-Fluoro-phenyl)-5-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 21472742
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methoxy-5-methyl-5H-furan-2-one
CID 21472747
5-Ethoxy-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 21472750
3-(4-(111C)methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CID 59738823

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one (CID 10471937) is 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one is CS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The InChIKey is BYTHPCPJUYKZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-10,16H,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one?
3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one has a molecular weight of 332.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-3H-furan-2-one is sourced from PubChem (CID 10471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).