N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide

C17H16F3N3O4S — CID 122247737

IUPACN-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C17H16F3N3O4S/c1-11(24)22-13-3-5-15(6-4-13)28(25,26)23-9-14(10-23)27-16-7-2-12(8-21-16)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,22,24)
InChIKeyDRNUQVXKBSADAB-UHFFFAOYSA-N
MW415.39 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 122247737) has the molecular formula C17H16F3N3O4S and a molecular weight of 415.39 g/mol. Its IUPAC name is N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
PubChem CID122247737
Molecular FormulaC17H16F3N3O4S
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC NameN-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C17H16F3N3O4S/c1-11(24)22-13-3-5-15(6-4-13)28(25,26)23-9-14(10-23)27-16-7-2-12(8-21-16)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,22,24)
InChIKeyDRNUQVXKBSADAB-UHFFFAOYSA-N
XLogP2.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide with MolForge

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Related Compounds

2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247754
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248978
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122267799
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide (CID 122247737) is N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DRNUQVXKBSADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4S/c1-11(24)22-13-3-5-15(6-4-13)28(25,26)23-9-14(10-23)27-16-7-2-12(8-21-16)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 415.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 122247737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).