sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide

C4F10NNaO4S2 — CID 87423860

IUPACsodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4F10NO4S2.Na/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/q-1;+1
InChIKeyQSTITLHDMBEKHE-UHFFFAOYSA-N
MW403.15 g/mol
LogP-0.67
Rot. Bonds4

About sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide

sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide (PubChem CID 87423860) has the molecular formula C4F10NNaO4S2 and a molecular weight of 403.15 g/mol. Its IUPAC name is sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide.

Molecular Properties

Compound Namesodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
PubChem CID87423860
Molecular FormulaC4F10NNaO4S2
Molecular Weight403.15 g/mol
Exact Mass402.90
IUPAC Namesodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4F10NO4S2.Na/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/q-1;+1
InChIKeyQSTITLHDMBEKHE-UHFFFAOYSA-N
XLogP-0.67
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
CID 154724969
hexalithium;[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylazanidylsulfonyl)butyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 177414090
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium
CID 141281448
copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
CID 25185926
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium
CID 141248001
1,1,2,2,2-pentafluoroethylsulfonylmethanolate
CID 150848433

Frequently Asked Questions

What is the IUPAC name of sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The IUPAC name of sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide (CID 87423860) is sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide.
What is the SMILES notation for sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The canonical SMILES for sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The InChIKey is QSTITLHDMBEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10NO4S2.Na/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/q-1;+1.
What are the key properties of sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide has a molecular weight of 403.15 g/mol, XLogP of -0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide is sourced from PubChem (CID 87423860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).