[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide

C13H15F3N2O3S — CID 168682107

IUPAC[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-10(11)7-18-6-9(5-12(18)19)8-22(17,20)21/h1-4,9H,5-8H2,(H2,17,20,21)
InChIKeyOTDYTRWUMKFGTC-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.34
Rot. Bonds4

About [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682107) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID168682107
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-10(11)7-18-6-9(5-12(18)19)8-22(17,20)21/h1-4,9H,5-8H2,(H2,17,20,21)
InChIKeyOTDYTRWUMKFGTC-UHFFFAOYSA-N
XLogP1.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 42095587
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 45201917
tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate
CID 168680586
[1-[2-fluoro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682229
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
CID 45225592
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
[1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682061
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56908965

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide (CID 168682107) is [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OTDYTRWUMKFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)11-4-2-1-3-10(11)7-18-6-9(5-12(18)19)8-22(17,20)21/h1-4,9H,5-8H2,(H2,17,20,21).
What are the key properties of [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 336.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).