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2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine

C19H19F3N2O3S — CID 122252151

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)17-6-3-7-18(23-17)27-15-11-24(12-15)28(25,26)16-9-8-13-4-1-2-5-14(13)10-16/h3,6-10,15H,1-2,4-5,11-12H2
InChIKeyRYEZMXSNEJWGLY-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine

2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (PubChem CID 122252151) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
PubChem CID122252151
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)17-6-3-7-18(23-17)27-15-11-24(12-15)28(25,26)16-9-8-13-4-1-2-5-14(13)10-16/h3,6-10,15H,1-2,4-5,11-12H2
InChIKeyRYEZMXSNEJWGLY-UHFFFAOYSA-N
XLogP3.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (CID 122252151) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The InChIKey is RYEZMXSNEJWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)17-6-3-7-18(23-17)27-15-11-24(12-15)28(25,26)16-9-8-13-4-1-2-5-14(13)10-16/h3,6-10,15H,1-2,4-5,11-12H2.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine has a molecular weight of 412.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122252151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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