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

C17H14FNO4S — CID 20658560

IUPAC4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESCC1OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-15(11-5-7-14(8-6-11)24(19,21)22)16(17(20)23-10)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,21,22)
InChIKeyHPBHUWKJQJFTQQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.33
Rot. Bonds3

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

4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide (PubChem CID 20658560) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
PubChem CID20658560
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Name4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
SMILESCC1OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FNO4S/c1-10-15(11-5-7-14(8-6-11)24(19,21)22)16(17(20)23-10)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,21,22)
InChIKeyHPBHUWKJQJFTQQ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658572
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67621648
4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448364
4-(3-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506543
4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 67676277
4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide
CID 90757858
2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745720
2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 67596462
4-[3-(3-aminophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386118
4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59198952
4-(3,4-difluorophenyl)-2-ethyl-3-(2-fluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 10157564
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide (CID 20658560) is 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide is CC1OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
The InChIKey is HPBHUWKJQJFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-10-15(11-5-7-14(8-6-11)24(19,21)22)16(17(20)23-10)12-3-2-4-13(18)9-12/h2-10H,1H3,(H2,19,21,22).
What are the key properties of 4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide?
4-[4-(3-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-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 20658560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).