2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide

C4H5F6NO4S2 — CID 22061690

IUPAC2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H5F6NO4S2/c5-3(6,7)1-16(12,13)11-17(14,15)2-4(8,9)10/h11H,1-2H2
InChIKeyJXASGGQKWGGACQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP0.36
Rot. Bonds4

About 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide

2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide (PubChem CID 22061690) has the molecular formula C4H5F6NO4S2 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
PubChem CID22061690
Molecular FormulaC4H5F6NO4S2
Molecular Weight309.21 g/mol
Exact Mass308.96
IUPAC Name2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H5F6NO4S2/c5-3(6,7)1-16(12,13)11-17(14,15)2-4(8,9)10/h11H,1-2H2
InChIKeyJXASGGQKWGGACQ-UHFFFAOYSA-N
XLogP0.36
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
2,2-Difluoroethane-1-sulfonamide
CID 50989787
1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
CID 58981321
1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
Bis(2,2,2-trifluoroethylsulfonylamino)mercury
CID 23262798
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
2,2,3,3-Tetrafluoropropane-1-sulfonamide
CID 19370936
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
CID 20577524
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide (CID 22061690) is 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is JXASGGQKWGGACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO4S2/c5-3(6,7)1-16(12,13)11-17(14,15)2-4(8,9)10/h11H,1-2H2.
What are the key properties of 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 309.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 22061690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).