2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline

C19H15F3N2O3S — CID 122250651

IUPAC2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)14-6-8-16(9-7-14)28(25,26)24-11-15(12-24)27-18-10-5-13-3-1-2-4-17(13)23-18/h1-10,15H,11-12H2
InChIKeyBRFDGJKZLIXQME-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.71
Rot. Bonds4

About 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline

2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline (PubChem CID 122250651) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
PubChem CID122250651
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)14-6-8-16(9-7-14)28(25,26)24-11-15(12-24)27-18-10-5-13-3-1-2-4-17(13)23-18/h1-10,15H,11-12H2
InChIKeyBRFDGJKZLIXQME-UHFFFAOYSA-N
XLogP3.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline 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

1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
CID 122250642
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505893
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
CID 122250674
N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
CID 122247737
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252163
N,N-dimethyl-3-quinolin-2-yloxypyrrolidine-1-sulfonamide
CID 91815890
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741
2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252151
2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline (CID 122250651) is 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline?
The InChIKey is BRFDGJKZLIXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c20-19(21,22)14-6-8-16(9-7-14)28(25,26)24-11-15(12-24)27-18-10-5-13-3-1-2-4-17(13)23-18/h1-10,15H,11-12H2.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline?
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline has a molecular weight of 408.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline is sourced from PubChem (CID 122250651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).