2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide

C13H23F3N2O3S — CID 138046943

IUPAC2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
SMILESCCC(CC(F)(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C13H23F3N2O3S/c1-4-10(7-13(14,15)16)8-22(20,21)17-11-5-6-18(9(2)3)12(11)19/h9-11,17H,4-8H2,1-3H3
InChIKeyNJTVJDICNZESCV-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.89
Rot. Bonds7

About 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide

2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide (PubChem CID 138046943) has the molecular formula C13H23F3N2O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
PubChem CID138046943
Molecular FormulaC13H23F3N2O3S
Molecular Weight344.40 g/mol
Exact Mass344.14
IUPAC Name2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
SMILESCCC(CC(F)(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C13H23F3N2O3S/c1-4-10(7-13(14,15)16)8-22(20,21)17-11-5-6-18(9(2)3)12(11)19/h9-11,17H,4-8H2,1-3H3
InChIKeyNJTVJDICNZESCV-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The IUPAC name of 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide (CID 138046943) is 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide is CCC(CC(F)(F)F)CS(=O)(=O)NC1CCN(C(C)C)C1=O.
What is the InChIKey of 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
The InChIKey is NJTVJDICNZESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3S/c1-4-10(7-13(14,15)16)8-22(20,21)17-11-5-6-18(9(2)3)12(11)19/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide?
2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4,4-trifluoro-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 138046943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).