5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one

C13H14F3NO4S — CID 45256333

IUPAC5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C1CNC(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO4S/c1-12(2,10-7-17-11(18)21-10)22(19,20)9-5-3-4-8(6-9)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyZAZKSXAQIMPUIK-UHFFFAOYSA-N
MW337.32 g/mol
LogP2.37
Rot. Bonds3

About 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one

5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 45256333) has the molecular formula C13H14F3NO4S and a molecular weight of 337.32 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one
PubChem CID45256333
Molecular FormulaC13H14F3NO4S
Molecular Weight337.32 g/mol
Exact Mass337.06
IUPAC Name5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C1CNC(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO4S/c1-12(2,10-7-17-11(18)21-10)22(19,20)9-5-3-4-8(6-9)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyZAZKSXAQIMPUIK-UHFFFAOYSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one (CID 45256333) is 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one is CC(C)(C1CNC(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZAZKSXAQIMPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4S/c1-12(2,10-7-17-11(18)21-10)22(19,20)9-5-3-4-8(6-9)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one?
5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 337.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45256333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).