N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide

C4H7F4NO4S2 — CID 58312165

IUPACN-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)NS(=O)(=O)C(C)(F)F
InChIInChI=1S/C4H7F4NO4S2/c1-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h9H,1-2H3
InChIKeyDQQULQGPLQZKIX-UHFFFAOYSA-N
MW273.23 g/mol
LogP0.46
Rot. Bonds4

About N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide

N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide (PubChem CID 58312165) has the molecular formula C4H7F4NO4S2 and a molecular weight of 273.23 g/mol. Its IUPAC name is N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
PubChem CID58312165
Molecular FormulaC4H7F4NO4S2
Molecular Weight273.23 g/mol
Exact Mass272.98
IUPAC NameN-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)NS(=O)(=O)C(C)(F)F
InChIInChI=1S/C4H7F4NO4S2/c1-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h9H,1-2H3
InChIKeyDQQULQGPLQZKIX-UHFFFAOYSA-N
XLogP0.46
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
CID 167233099
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
CID 135209172
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
1,1-difluoro-1-(sulfinosulfamoyl)ethane
CID 89328833
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
CID 123826601
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
1,1,1-trifluoroethane
CID 91327996
1,1,1-trifluoroethane
CID 9868

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide?
The IUPAC name of N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide (CID 58312165) is N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide?
The canonical SMILES for N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide is CC(F)(F)S(=O)(=O)NS(=O)(=O)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide?
The InChIKey is DQQULQGPLQZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4NO4S2/c1-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h9H,1-2H3.
What are the key properties of N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide?
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide has a molecular weight of 273.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 58312165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).