8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one

C19H18FNO3S — CID 130408516

IUPAC8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3S/c20-15-5-1-13(2-6-15)14-3-9-19(10-4-14)25(23,24)21-16-7-8-17(21)12-18(22)11-16/h1-6,9-10,16-17H,7-8,11-12H2
InChIKeyFMWWKEZNZQYKJM-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.38
Rot. Bonds3

About 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one

8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 130408516) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID130408516
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3S/c20-15-5-1-13(2-6-15)14-3-9-19(10-4-14)25(23,24)21-16-7-8-17(21)12-18(22)11-16/h1-6,9-10,16-17H,7-8,11-12H2
InChIKeyFMWWKEZNZQYKJM-UHFFFAOYSA-N
XLogP3.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one (CID 130408516) is 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is FMWWKEZNZQYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c20-15-5-1-13(2-6-15)14-3-9-19(10-4-14)25(23,24)21-16-7-8-17(21)12-18(22)11-16/h1-6,9-10,16-17H,7-8,11-12H2.
What are the key properties of 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one?
8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 359.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 130408516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).