4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide

C17H14FNO4S — CID 20658572

IUPAC4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESCC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-15(11-4-8-14(9-5-11)24(19,21)22)16(17(20)23-10)12-2-6-13(18)7-3-12/h2-10H,1H3,(H2,19,21,22)
InChIKeyKGTVCKLUJWNMRJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.33
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide

4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide (PubChem CID 20658572) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
PubChem CID20658572
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Name4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESCC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-15(11-4-8-14(9-5-11)24(19,21)22)16(17(20)23-10)12-2-6-13(18)7-3-12/h2-10H,1H3,(H2,19,21,22)
InChIKeyKGTVCKLUJWNMRJ-UHFFFAOYSA-N
XLogP2.33
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.33
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

4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658560
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)-2-methyl-2H-furan-5-one
CID 10155660
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[2,2-diethyl-4-(4-fluorophenyl)-5-oxofuran-3-yl]benzenesulfonamide
CID 23288242
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
CID 174977525
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
4-[3-(4-fluorophenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]benzenesulfonamide
CID 110545273
3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid
CID 23370544
(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740818
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 177458625
4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110582922
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
CID 142769907

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide (CID 20658572) is 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide is CC1OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is KGTVCKLUJWNMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-10-15(11-4-8-14(9-5-11)24(19,21)22)16(17(20)23-10)12-2-6-13(18)7-3-12/h2-10H,1H3,(H2,19,21,22).
What are the key properties of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 20658572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).