4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide

C20H20FNO4S — CID 23288242

IUPAC4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide
SMILESCCC1(CC)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20FNO4S/c1-3-20(4-2)18(14-7-11-16(12-8-14)27(22,24)25)17(19(23)26-20)13-5-9-15(21)10-6-13/h5-12H,3-4H2,1-2H3,(H2,22,24,25)
InChIKeyAQCZCBRFLRPYMD-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.50
Rot. Bonds5

About 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide

4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide (PubChem CID 23288242) has the molecular formula C20H20FNO4S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide
PubChem CID23288242
Molecular FormulaC20H20FNO4S
Molecular Weight389.45 g/mol
Exact Mass389.11
IUPAC Name4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide
SMILESCCC1(CC)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20FNO4S/c1-3-20(4-2)18(14-7-11-16(12-8-14)27(22,24)25)17(19(23)26-20)13-5-9-15(21)10-6-13/h5-12H,3-4H2,1-2H3,(H2,22,24,25)
InChIKeyAQCZCBRFLRPYMD-UHFFFAOYSA-N
XLogP3.50
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-5-propoxyfuran-2-one
CID 21472745
4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658572
4-(2-fluoro-4-methylsulfonylphenyl)-3-(4-fluorophenyl)-5,5-dimethylfuran-2-one
CID 10156493
3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 16666105
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-(3-ethyl-4-methylsulfonylphenyl)-3-(4-fluorophenyl)-5,5-dimethylfuran-2-one
CID 142097958
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
CID 142769907
4-[2-(4-chlorophenyl)-5,5-dimethyl-4-oxofuran-3-yl]benzenesulfonamide
CID 142769920
5,5-dimethyl-3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 22002642
4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110582922
6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
CID 22917458
4-[3-(4-fluorophenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]benzenesulfonamide
CID 110545273

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide (CID 23288242) is 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide is CCC1(CC)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide?
The InChIKey is AQCZCBRFLRPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4S/c1-3-20(4-2)18(14-7-11-16(12-8-14)27(22,24)25)17(19(23)26-20)13-5-9-15(21)10-6-13/h5-12H,3-4H2,1-2H3,(H2,22,24,25).
What are the key properties of 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide?
4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide is sourced from PubChem (CID 23288242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).