sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide

C6HF13NNaO2S — CID 46865217

IUPACsodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C6HF13NO2S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H-,20,21,22);/q-1;+1
InChIKeyWEVJDFCVPBPCIK-UHFFFAOYSA-N
MW421.11 g/mol
LogP1.07
Rot. Bonds5

About sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide

sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide (PubChem CID 46865217) has the molecular formula C6HF13NNaO2S and a molecular weight of 421.11 g/mol. Its IUPAC name is sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide.

Molecular Properties

Compound Namesodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide
PubChem CID46865217
Molecular FormulaC6HF13NNaO2S
Molecular Weight421.11 g/mol
Exact Mass420.94
IUPAC Namesodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C6HF13NO2S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H-,20,21,22);/q-1;+1
InChIKeyWEVJDFCVPBPCIK-UHFFFAOYSA-N
XLogP1.07
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorooctanesulfonamide
CID 69785
Perfluorohexanesulfonamide
CID 11603678
Perfluorobutane sulfonamide
CID 10958205
Perfluoroheptane sulfonamide
CID 11525204
Sodium perfluorohexanesulfonate
CID 23704962
Azanium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 73556409
1-Heptanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-, ammonium salt (1:1)
CID 73556408
Perfluoro-1-decanesulfonamide
CID 21267702
Perfluoropentane sulfonamide
CID 87793813
Sodium perfluorobutane sulfonamide
CID 10958204
Perfluorooctanesulfonamide, monosodium salt
CID 23699590
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-((perfluorohexyl)sulfonyl)hexane-1-sulfonamide
CID 10898051

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide?
The IUPAC name of sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide (CID 46865217) is sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide.
What is the SMILES notation for sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide?
The canonical SMILES for sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide is [NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide?
The InChIKey is WEVJDFCVPBPCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13NO2S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H-,20,21,22);/q-1;+1.
What are the key properties of sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide?
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide has a molecular weight of 421.11 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylazanide is sourced from PubChem (CID 46865217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).