(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one

C12H12F3NO3S — CID 70276102

IUPAC(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
SMILESC[C@@H]1CC(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3S/c1-8-6-10(17)7-16(8)20(18,19)11-4-2-9(3-5-11)12(13,14)15/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyHYURNPFQPXDJKG-MRVPVSSYSA-N
MW307.29 g/mol
LogP2.06
Rot. Bonds2

About (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one

(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one (PubChem CID 70276102) has the molecular formula C12H12F3NO3S and a molecular weight of 307.29 g/mol. Its IUPAC name is (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
PubChem CID70276102
Molecular FormulaC12H12F3NO3S
Molecular Weight307.29 g/mol
Exact Mass307.05
IUPAC Name(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
SMILESC[C@@H]1CC(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3S/c1-8-6-10(17)7-16(8)20(18,19)11-4-2-9(3-5-11)12(13,14)15/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyHYURNPFQPXDJKG-MRVPVSSYSA-N
XLogP2.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The IUPAC name of (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one (CID 70276102) is (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one.
What is the SMILES notation for (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The canonical SMILES for (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one is C[C@@H]1CC(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The InChIKey is HYURNPFQPXDJKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3NO3S/c1-8-6-10(17)7-16(8)20(18,19)11-4-2-9(3-5-11)12(13,14)15/h2-5,8H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one has a molecular weight of 307.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one is sourced from PubChem (CID 70276102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).