4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide

C18H15F2NO4S — CID 22746313

IUPAC4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1cc(C)cc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)COC2=O)c1
InChIInChI=1S/C18H15F2NO4S/c1-9-3-10(2)5-12(4-9)16-13(8-25-18(16)22)11-6-14(19)17(15(20)7-11)26(21,23)24/h3-7H,8H2,1-2H3,(H2,21,23,24)
InChIKeyCIOYSHGPTOKUDR-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.70
Rot. Bonds3

About 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide

4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 22746313) has the molecular formula C18H15F2NO4S and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide
PubChem CID22746313
Molecular FormulaC18H15F2NO4S
Molecular Weight379.38 g/mol
Exact Mass379.07
IUPAC Name4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1cc(C)cc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)COC2=O)c1
InChIInChI=1S/C18H15F2NO4S/c1-9-3-10(2)5-12(4-9)16-13(8-25-18(16)22)11-6-14(19)17(15(20)7-11)26(21,23)24/h3-7H,8H2,1-2H3,(H2,21,23,24)
InChIKeyCIOYSHGPTOKUDR-UHFFFAOYSA-N
XLogP2.70
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.70
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

2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745720
2,6-difluoro-4-[4-[4-methyl-3-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22746827
2,6-difluoro-4-[5-oxo-4-[4-(trifluoromethoxy)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22747367
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-methyl-4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 18754853
4-(4-chloro-3-methylphenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754596
2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
CID 22746653
4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22747318
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22745488
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
3-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 162617833
3-(2-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
CID 118721953
4-cyclopentyl-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754719

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide (CID 22746313) is 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide is Cc1cc(C)cc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)COC2=O)c1.
What is the InChIKey of 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is CIOYSHGPTOKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4S/c1-9-3-10(2)5-12(4-9)16-13(8-25-18(16)22)11-6-14(19)17(15(20)7-11)26(21,23)24/h3-7H,8H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide?
4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 379.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22746313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).