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

C17H10F2N2O4S — CID 22746089

IUPAC4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESN#Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1
InChIInChI=1S/C17H10F2N2O4S/c18-13-6-15(26(21,23)24)14(19)5-11(13)12-8-25-17(22)16(12)10-3-1-9(7-20)2-4-10/h1-6H,8H2,(H2,21,23,24)
InChIKeyIQSHWSSMGIXQLU-UHFFFAOYSA-N
MW376.34 g/mol
LogP1.95
Rot. Bonds3

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

4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746089) has the molecular formula C17H10F2N2O4S and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746089
Molecular FormulaC17H10F2N2O4S
Molecular Weight376.34 g/mol
Exact Mass376.03
IUPAC Name4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
SMILESN#Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1
InChIInChI=1S/C17H10F2N2O4S/c18-13-6-15(26(21,23)24)14(19)5-11(13)12-8-25-17(22)16(12)10-3-1-9(7-20)2-4-10/h1-6H,8H2,(H2,21,23,24)
InChIKeyIQSHWSSMGIXQLU-UHFFFAOYSA-N
XLogP1.95
TPSA110.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-cyanophenyl)-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-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745839
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
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 18754620
4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754519
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22746497
2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22747368
2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22747367
4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
CID 139972086
4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide
CID 22746313

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide (CID 22746089) is 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is N#Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)cc1.
What is the InChIKey of 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is IQSHWSSMGIXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O4S/c18-13-6-15(26(21,23)24)14(19)5-11(13)12-8-25-17(22)16(12)10-3-1-9(7-20)2-4-10/h1-6H,8H2,(H2,21,23,24).
What are the key properties of 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide?
4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 376.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).