2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine

C13H13F3N4O3S — CID 122251194

IUPAC2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESCn1cnc(S(=O)(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)c1
InChIInChI=1S/C13H13F3N4O3S/c1-19-7-11(18-8-19)24(21,22)20-5-9(6-20)23-12-10(13(14,15)16)3-2-4-17-12/h2-4,7-9H,5-6H2,1H3
InChIKeyRXGNVLRNAXUSJC-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine

2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (PubChem CID 122251194) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
PubChem CID122251194
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC Name2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESCn1cnc(S(=O)(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)c1
InChIInChI=1S/C13H13F3N4O3S/c1-19-7-11(18-8-19)24(21,22)20-5-9(6-20)23-12-10(13(14,15)16)3-2-4-17-12/h2-4,7-9H,5-6H2,1H3
InChIKeyRXGNVLRNAXUSJC-UHFFFAOYSA-N
XLogP1.29
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251181
2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251179
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
(3R,4S)-4-(3-fluoro-2-pyridinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404481
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
N-[4-hydroxy-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 90405513
4-(4-fluorophenyl)-N-[2-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404739
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628103
3-methyl-5-[4-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 91905427
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (CID 122251194) is 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine is Cn1cnc(S(=O)(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)c1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The InChIKey is RXGNVLRNAXUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-19-7-11(18-8-19)24(21,22)20-5-9(6-20)23-12-10(13(14,15)16)3-2-4-17-12/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine has a molecular weight of 362.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 122251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).