N-ethyl-2,2,2-trifluoroethanesulfonamide

C4H8F3NO2S — CID 20718448

IUPACN-ethyl-2,2,2-trifluoroethanesulfonamide
SMILESCCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyBVMGMEZVJONMNE-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.49
Rot. Bonds3

About N-ethyl-2,2,2-trifluoroethanesulfonamide

N-ethyl-2,2,2-trifluoroethanesulfonamide (PubChem CID 20718448) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoroethanesulfonamide
PubChem CID20718448
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-ethyl-2,2,2-trifluoroethanesulfonamide
SMILESCCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyBVMGMEZVJONMNE-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2,2-trifluoroethanesulfonamide 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-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-ethyl-2,2,2-trifluoroethanesulfonamide (CID 20718448) is N-ethyl-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoroethanesulfonamide is CCNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoroethanesulfonamide?
The InChIKey is BVMGMEZVJONMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoroethanesulfonamide?
N-ethyl-2,2,2-trifluoroethanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 20718448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).