4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

C18H12F2N2O4S — CID 22745839

IUPAC4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1C#N
InChIInChI=1S/C18H12F2N2O4S/c1-9-2-3-10(4-11(9)7-21)17-13(8-26-18(17)23)12-5-15(20)16(6-14(12)19)27(22,24)25/h2-6H,8H2,1H3,(H2,22,24,25)
InChIKeyFRMFMXHDAQXILX-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.26
Rot. Bonds3

About 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide

4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22745839) has the molecular formula C18H12F2N2O4S and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22745839
Molecular FormulaC18H12F2N2O4S
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC Name4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1C#N
InChIInChI=1S/C18H12F2N2O4S/c1-9-2-3-10(4-11(9)7-21)17-13(8-26-18(17)23)12-5-15(20)16(6-14(12)19)27(22,24)25/h2-6H,8H2,1H3,(H2,22,24,25)
InChIKeyFRMFMXHDAQXILX-UHFFFAOYSA-N
XLogP2.26
TPSA110.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide 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-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746089
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
2,5-difluoro-4-[4-[3-methyl-4-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745443
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22745488
4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746994
4-[3-(3-cyano-4-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745914
4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754519
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 18754620
2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22747368
4-[2-(3-cyano-4-methylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22746882
2,6-difluoro-4-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22746827
4-[1-(3-cyano-4-methylphenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747432

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (CID 22745839) is 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1C#N.
What is the InChIKey of 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FRMFMXHDAQXILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O4S/c1-9-2-3-10(4-11(9)7-21)17-13(8-26-18(17)23)12-5-15(20)16(6-14(12)19)27(22,24)25/h2-6H,8H2,1H3,(H2,22,24,25).
What are the key properties of 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 390.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22745839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).