sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide

C5F12NNaO4S2 — CID 138396263

IUPACsodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C5F12NO4S2.Na/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17;/q-1;+1
InChIKeyQHCVGZBUAFIWPB-UHFFFAOYSA-N
MW453.16 g/mol
LogP-0.03
Rot. Bonds5

About sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide

sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 138396263) has the molecular formula C5F12NNaO4S2 and a molecular weight of 453.16 g/mol. Its IUPAC name is sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namesodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID138396263
Molecular FormulaC5F12NNaO4S2
Molecular Weight453.16 g/mol
Exact Mass452.90
IUPAC Namesodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C5F12NO4S2.Na/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17;/q-1;+1
InChIKeyQHCVGZBUAFIWPB-UHFFFAOYSA-N
XLogP-0.03
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.16
LogP ≤ 5-0.03
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

Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Sodium perfluorobutane sulfonamide
CID 10958204
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
Lithium bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 87691590

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide (CID 138396263) is sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is QHCVGZBUAFIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12NO4S2.Na/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17;/q-1;+1.
What are the key properties of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 453.16 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 138396263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).