7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one

C18H16FNO3S — CID 163585849

IUPAC7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1N2S(=O)(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H16FNO3S/c19-16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(22,23)20-13-7-10-17(20)18(21)11-13/h1-6,8-9,13,17H,7,10-11H2
InChIKeyGLKBOYKGBCMIIR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds3

About 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one

7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one (PubChem CID 163585849) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one
PubChem CID163585849
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1N2S(=O)(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H16FNO3S/c19-16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(22,23)20-13-7-10-17(20)18(21)11-13/h1-6,8-9,13,17H,7,10-11H2
InChIKeyGLKBOYKGBCMIIR-UHFFFAOYSA-N
XLogP2.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one (CID 163585849) is 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one is O=C1CC2CCC1N2S(=O)(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one?
The InChIKey is GLKBOYKGBCMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(22,23)20-13-7-10-17(20)18(21)11-13/h1-6,8-9,13,17H,7,10-11H2.
What are the key properties of 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one?
7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluorophenyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 163585849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).