2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane

C17H17FN2O3S — CID 131656025

IUPAC2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2CCC1C2Oc1ccccn1
InChIInChI=1S/C17H17FN2O3S/c18-13-5-7-14(8-6-13)24(21,22)20-11-12-4-9-15(20)17(12)23-16-3-1-2-10-19-16/h1-3,5-8,10,12,15,17H,4,9,11H2
InChIKeyAQPFVQCBFCTPKR-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane

2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane (PubChem CID 131656025) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
PubChem CID131656025
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2CCC1C2Oc1ccccn1
InChIInChI=1S/C17H17FN2O3S/c18-13-5-7-14(8-6-13)24(21,22)20-11-12-4-9-15(20)17(12)23-16-3-1-2-10-19-16/h1-3,5-8,10,12,15,17H,4,9,11H2
InChIKeyAQPFVQCBFCTPKR-UHFFFAOYSA-N
XLogP2.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane (CID 131656025) is 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane is O=S(=O)(c1ccc(F)cc1)N1CC2CCC1C2Oc1ccccn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is AQPFVQCBFCTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-5-7-14(8-6-13)24(21,22)20-11-12-4-9-15(20)17(12)23-16-3-1-2-10-19-16/h1-3,5-8,10,12,15,17H,4,9,11H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane has a molecular weight of 348.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131656025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).