8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

C19H21FN2O4S — CID 121186745

IUPAC8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-25-19-5-4-17(12-18(19)20)27(23,24)22-13-2-3-14(22)11-16(10-13)26-15-6-8-21-9-7-15/h4-9,12-14,16H,2-3,10-11H2,1H3
InChIKeyWLHVSCCUZXGYOD-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.99
Rot. Bonds5

About 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186745) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186745
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-25-19-5-4-17(12-18(19)20)27(23,24)22-13-2-3-14(22)11-16(10-13)26-15-6-8-21-9-7-15/h4-9,12-14,16H,2-3,10-11H2,1H3
InChIKeyWLHVSCCUZXGYOD-UHFFFAOYSA-N
XLogP2.99
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-ethoxy-3-fluorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186259
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
CID 121186296
8-(3-fluoro-4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]oct-2-ene
CID 73168825
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186274
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186718
8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186710
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
(2S,3aS,7aR)-5-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388841

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 121186745) is 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is COc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is WLHVSCCUZXGYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-25-19-5-4-17(12-18(19)20)27(23,24)22-13-2-3-14(22)11-16(10-13)26-15-6-8-21-9-7-15/h4-9,12-14,16H,2-3,10-11H2,1H3.
What are the key properties of 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 392.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).