1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one

C14H16F3NO4S — CID 1478659

IUPAC1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)10-3-1-4-12(7-10)23(21,22)9-11(19)8-18-6-2-5-13(18)20/h1,3-4,7,11,19H,2,5-6,8-9H2/t11-/m1/s1
InChIKeyMQNQOKNQXHGSNM-LLVKDONJSA-N
MW351.35 g/mol
LogP1.46
Rot. Bonds5

About 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one

1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one (PubChem CID 1478659) has the molecular formula C14H16F3NO4S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one
PubChem CID1478659
Molecular FormulaC14H16F3NO4S
Molecular Weight351.35 g/mol
Exact Mass351.08
IUPAC Name1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO4S/c15-14(16,17)10-3-1-4-12(7-10)23(21,22)9-11(19)8-18-6-2-5-13(18)20/h1,3-4,7,11,19H,2,5-6,8-9H2/t11-/m1/s1
InChIKeyMQNQOKNQXHGSNM-LLVKDONJSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
CID 51946543
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one (CID 1478659) is 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one?
The InChIKey is MQNQOKNQXHGSNM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3NO4S/c15-14(16,17)10-3-1-4-12(7-10)23(21,22)9-11(19)8-18-6-2-5-13(18)20/h1,3-4,7,11,19H,2,5-6,8-9H2/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one?
1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one has a molecular weight of 351.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 1478659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).