sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide

C8HF17NNaO2S — CID 23699590

IUPACsodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C8HF17NO2S.Na/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H-,26,27,28);/q-1;+1
InChIKeyMLCGNLHICUQQMZ-UHFFFAOYSA-N
MW521.12 g/mol
LogP2.34
Rot. Bonds7

About sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide

sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide (PubChem CID 23699590) has the molecular formula C8HF17NNaO2S and a molecular weight of 521.12 g/mol. Its IUPAC name is sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide.

Molecular Properties

Compound Namesodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide
PubChem CID23699590
Molecular FormulaC8HF17NNaO2S
Molecular Weight521.12 g/mol
Exact Mass520.94
IUPAC Namesodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C8HF17NO2S.Na/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H-,26,27,28);/q-1;+1
InChIKeyMLCGNLHICUQQMZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.12
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide with MolForge

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Related Compounds

Perfluorooctanesulfonamide
CID 69785
Perfluorohexanesulfonamide
CID 11603678
Perfluoroheptane sulfonamide
CID 11525204
Perfluorooctanesulfonate
CID 3736298
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-hydroxyoctane-1-sulfonamide
CID 23645540
Ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 15607692
Ammonium henicosafluorodecanesulphonate
CID 106088
1-Octanesulfinic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, sodium salt (1:1)
CID 23668717
Azanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonate
CID 57370517
Sodium perfluorohexanesulfonamide
CID 46865217
Sodium perfluorodecanesulfonate
CID 23671439
Perfluoro-1-decanesulfonamide
CID 21267702

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide?
The IUPAC name of sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide (CID 23699590) is sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide.
What is the SMILES notation for sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide?
The canonical SMILES for sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide is [NH-]S(=O)(=O)C(F)(F)C(F)(F)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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide?
The InChIKey is MLCGNLHICUQQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF17NO2S.Na/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H-,26,27,28);/q-1;+1.
What are the key properties of sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide?
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide has a molecular weight of 521.12 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanide is sourced from PubChem (CID 23699590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).