N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide

C8H15F3N2O2S — CID 65422430

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)C1CCNC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-13(6-8(9,10)11)16(14,15)7-3-4-12-5-7/h7,12H,2-6H2,1H3
InChIKeyYBXNGLMOYAAWIM-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.56
Rot. Bonds4

About N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide

N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide (PubChem CID 65422430) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
PubChem CID65422430
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)C1CCNC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-13(6-8(9,10)11)16(14,15)7-3-4-12-5-7/h7,12H,2-6H2,1H3
InChIKeyYBXNGLMOYAAWIM-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide (CID 65422430) is N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)C1CCNC1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
The InChIKey is YBXNGLMOYAAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-2-13(6-8(9,10)11)16(14,15)7-3-4-12-5-7/h7,12H,2-6H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide?
N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65422430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).