sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide

C9H11F13NNaO2SSi — CID 173151402

IUPACsodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide
SMILESC[Si](C)(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C9H10F13NO2SSi.Na.H/c1-27(2,3)23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20;;/h23H,1-3H3;;/q;+1;-1
InChIKeyBCWWGQJJJARZFE-UHFFFAOYSA-N
MW495.31 g/mol
LogP1.55
Rot. Bonds7

About sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide

sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide (PubChem CID 173151402) has the molecular formula C9H11F13NNaO2SSi and a molecular weight of 495.31 g/mol. Its IUPAC name is sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide.

Molecular Properties

Compound Namesodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide
PubChem CID173151402
Molecular FormulaC9H11F13NNaO2SSi
Molecular Weight495.31 g/mol
Exact Mass495.00
IUPAC Namesodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide
SMILESC[Si](C)(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C9H10F13NO2SSi.Na.H/c1-27(2,3)23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20;;/h23H,1-3H3;;/q;+1;-1
InChIKeyBCWWGQJJJARZFE-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide?
The IUPAC name of sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide (CID 173151402) is sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide.
What is the SMILES notation for sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide?
The canonical SMILES for sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide is C[Si](C)(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide?
The InChIKey is BCWWGQJJJARZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F13NO2SSi.Na.H/c1-27(2,3)23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20;;/h23H,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide?
sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide has a molecular weight of 495.31 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide is sourced from PubChem (CID 173151402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).