4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

C16H14FNO5S — CID 18385915

IUPAC4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2occc2F)C1=O
InChIInChI=1S/C16H14FNO5S/c1-16(2)15(19)12(14-11(17)7-8-22-14)13(23-16)9-3-5-10(6-4-9)24(18,20)21/h3-8H,1-2H3,(H2,18,20,21)
InChIKeyYGQCXNKIOFEPIO-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.31
Rot. Bonds3

About 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide (PubChem CID 18385915) has the molecular formula C16H14FNO5S and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
PubChem CID18385915
Molecular FormulaC16H14FNO5S
Molecular Weight351.36 g/mol
Exact Mass351.06
IUPAC Name4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2occc2F)C1=O
InChIInChI=1S/C16H14FNO5S/c1-16(2)15(19)12(14-11(17)7-8-22-14)13(23-16)9-3-5-10(6-4-9)24(18,20)21/h3-8H,1-2H3,(H2,18,20,21)
InChIKeyYGQCXNKIOFEPIO-UHFFFAOYSA-N
XLogP2.31
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenyl)-5,5-dimethyl-4-oxofuran-3-yl]benzenesulfonamide
CID 142769920
4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 11163395
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
CID 142769907
4-[3-(3-aminophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386118
4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11739063
4-[5,5-dimethyl-4-oxo-3-[3-(trifluoromethyl)phenyl]furan-2-yl]-2-fluorobenzenesulfonamide
CID 18385995
4-[4-(3-fluorophenyl)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386002
4-(3,4-dimethylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386117
2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylfuran-3-one
CID 18386162
4-(4-ethylsulfonylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385593
4-(2,6-difluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-2,2-dimethylfuran-3-one
CID 18385676
4-(3-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11314765

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide (CID 18385915) is 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide is CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2occc2F)C1=O.
What is the InChIKey of 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The InChIKey is YGQCXNKIOFEPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5S/c1-16(2)15(19)12(14-11(17)7-8-22-14)13(23-16)9-3-5-10(6-4-9)24(18,20)21/h3-8H,1-2H3,(H2,18,20,21).
What are the key properties of 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide has a molecular weight of 351.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 18385915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).