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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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).