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

C19H19F3N2O3S — CID 122252151

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252163
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252170
N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
CID 122252108
2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 122252114
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
(4-morpholin-4-ylsulfonylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251891
5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 121095977
3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 53008544
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855

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).