(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

C23H26F3NO4S — CID 59447351

IUPAC(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)[C@H](O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3NO4S/c1-22(2,32(30,31)19-10-6-9-18(15-19)23(24,25)26)17-11-13-27(14-12-17)21(29)20(28)16-7-4-3-5-8-16/h3-10,15,17,20,28H,11-14H2,1-2H3/t20-/m1/s1
InChIKeyGPNUKULBBXFSNO-HXUWFJFHSA-N
MW469.53 g/mol
LogP4.23
Rot. Bonds5

About (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 59447351) has the molecular formula C23H26F3NO4S and a molecular weight of 469.53 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
PubChem CID59447351
Molecular FormulaC23H26F3NO4S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC Name(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)[C@H](O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3NO4S/c1-22(2,32(30,31)19-10-6-9-18(15-19)23(24,25)26)17-11-13-27(14-12-17)21(29)20(28)16-7-4-3-5-8-16/h3-10,15,17,20,28H,11-14H2,1-2H3/t20-/m1/s1
InChIKeyGPNUKULBBXFSNO-HXUWFJFHSA-N
XLogP4.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (CID 59447351) is (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is CC(C)(C1CCN(C(=O)[C@H](O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GPNUKULBBXFSNO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26F3NO4S/c1-22(2,32(30,31)19-10-6-9-18(15-19)23(24,25)26)17-11-13-27(14-12-17)21(29)20(28)16-7-4-3-5-8-16/h3-10,15,17,20,28H,11-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
(2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 469.53 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59447351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).