2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one

C17H13FO4S — CID 141028007

IUPAC2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCS(=O)(=O)c1ccc(C2=CC(=O)C(c3cccc(F)c3)O2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-7-5-11(6-8-14)16-10-15(19)17(22-16)12-3-2-4-13(18)9-12/h2-10,17H,1H3
InChIKeyZSVZRIOIFBQGCG-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one

2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one (PubChem CID 141028007) has the molecular formula C17H13FO4S and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one
PubChem CID141028007
Molecular FormulaC17H13FO4S
Molecular Weight332.35 g/mol
Exact Mass332.05
IUPAC Name2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCS(=O)(=O)c1ccc(C2=CC(=O)C(c3cccc(F)c3)O2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-7-5-11(6-8-14)16-10-15(19)17(22-16)12-3-2-4-13(18)9-12/h2-10,17H,1H3
InChIKeyZSVZRIOIFBQGCG-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

Rofecoxib
CID 5090
Polmacoxib
CID 9841854
5,5-dimethyl-3-(3-fluorophenyl)-4-(4-methylsulfonyl)phenyl-2(5H)-furanone
CID 9906892
MF-tricyclic
CID 127923
4-(3,5-difluorophenyl)-2,2-dimethyl-5-{4-(methylsulfonyl)phenyl}-3(2H)-furanone
CID 9864551
3-(3-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one
CID 9923656
2-(3,5-Difluoro-phenoxy)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10594921
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 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one (CID 141028007) is 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one is CS(=O)(=O)c1ccc(C2=CC(=O)C(c3cccc(F)c3)O2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one?
The InChIKey is ZSVZRIOIFBQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4S/c1-23(20,21)14-7-5-11(6-8-14)16-10-15(19)17(22-16)12-3-2-4-13(18)9-12/h2-10,17H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one?
2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-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 2-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one is sourced from PubChem (CID 141028007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).