6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one

C14H16F3NO4S — CID 67131302

IUPAC6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one
SMILESCC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)CO1
InChIInChI=1S/C14H16F3NO4S/c1-9(12-6-18-13(19)7-22-12)8-23(20,21)11-4-2-3-10(5-11)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyYZHSFRSUQJOGAY-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.63
Rot. Bonds4

About 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one

6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one (PubChem CID 67131302) has the molecular formula C14H16F3NO4S and a molecular weight of 351.35 g/mol. Its IUPAC name is 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one.

Molecular Properties

Compound Name6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one
PubChem CID67131302
Molecular FormulaC14H16F3NO4S
Molecular Weight351.35 g/mol
Exact Mass351.08
IUPAC Name6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one
SMILESCC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)CO1
InChIInChI=1S/C14H16F3NO4S/c1-9(12-6-18-13(19)7-22-12)8-23(20,21)11-4-2-3-10(5-11)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyYZHSFRSUQJOGAY-UHFFFAOYSA-N
XLogP1.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one?
The IUPAC name of 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one (CID 67131302) is 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one.
What is the SMILES notation for 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one?
The canonical SMILES for 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one is CC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)CO1.
What is the InChIKey of 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one?
The InChIKey is YZHSFRSUQJOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4S/c1-9(12-6-18-13(19)7-22-12)8-23(20,21)11-4-2-3-10(5-11)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19).
What are the key properties of 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one?
6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one has a molecular weight of 351.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one is sourced from PubChem (CID 67131302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).