(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one

C14H16F3NO3S — CID 58348296

IUPAC(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(C)([C@@H]1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyWIJMAYZWDPVZGK-JTQLQIEISA-N
MW335.35 g/mol
LogP2.39
Rot. Bonds3

About (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one

(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (PubChem CID 58348296) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
PubChem CID58348296
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(C)([C@@H]1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyWIJMAYZWDPVZGK-JTQLQIEISA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (CID 58348296) is (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is CC(C)([C@@H]1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The InChIKey is WIJMAYZWDPVZGK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 58348296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).