3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol

C15H12F4N2O3S — CID 167810627

IUPAC3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol
SMILESO=S(=O)(c1ncccc1C(F)(F)F)N1CC(O)(c2ccccc2F)C1
InChIInChI=1S/C15H12F4N2O3S/c16-12-6-2-1-4-10(12)14(22)8-21(9-14)25(23,24)13-11(15(17,18)19)5-3-7-20-13/h1-7,22H,8-9H2
InChIKeyIMHJPUQORFVQED-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol

3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol (PubChem CID 167810627) has the molecular formula C15H12F4N2O3S and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol
PubChem CID167810627
Molecular FormulaC15H12F4N2O3S
Molecular Weight376.33 g/mol
Exact Mass376.05
IUPAC Name3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol
SMILESO=S(=O)(c1ncccc1C(F)(F)F)N1CC(O)(c2ccccc2F)C1
InChIInChI=1S/C15H12F4N2O3S/c16-12-6-2-1-4-10(12)14(22)8-21(9-14)25(23,24)13-11(15(17,18)19)5-3-7-20-13/h1-7,22H,8-9H2
InChIKeyIMHJPUQORFVQED-UHFFFAOYSA-N
XLogP2.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine
CID 103300546
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol (CID 167810627) is 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol is O=S(=O)(c1ncccc1C(F)(F)F)N1CC(O)(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol?
The InChIKey is IMHJPUQORFVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3S/c16-12-6-2-1-4-10(12)14(22)8-21(9-14)25(23,24)13-11(15(17,18)19)5-3-7-20-13/h1-7,22H,8-9H2.
What are the key properties of 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol?
3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol has a molecular weight of 376.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol is sourced from PubChem (CID 167810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).