1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide

C4H3F8NO4S2 — CID 53348267

IUPAC1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C4H3F8NO4S2/c5-1(3(7,8)9)18(14,15)13-19(16,17)2(6)4(10,11)12/h1-2,13H
InChIKeyZEBLXFXDBMCYLE-UHFFFAOYSA-N
MW345.19 g/mol
LogP0.95
Rot. Bonds4

About 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide

1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide (PubChem CID 53348267) has the molecular formula C4H3F8NO4S2 and a molecular weight of 345.19 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
PubChem CID53348267
Molecular FormulaC4H3F8NO4S2
Molecular Weight345.19 g/mol
Exact Mass344.94
IUPAC Name1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C4H3F8NO4S2/c5-1(3(7,8)9)18(14,15)13-19(16,17)2(6)4(10,11)12/h1-2,13H
InChIKeyZEBLXFXDBMCYLE-UHFFFAOYSA-N
XLogP0.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Tetrafluoroethylsulfonamide
CID 87668762
Bis(2,2,2-trifluoroethylsulfonylamino)mercury
CID 23262798
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,2-Trifluoroethane-1,1-disulfonamide
CID 22967973
1,1,2,2,3-pentafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57641964
4,4,5,5-Tetrafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57669247
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 57983898

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide (CID 53348267) is 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is ZEBLXFXDBMCYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F8NO4S2/c5-1(3(7,8)9)18(14,15)13-19(16,17)2(6)4(10,11)12/h1-2,13H.
What are the key properties of 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 53348267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).