sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide

C10F22NNaO4S2 — CID 154724969

About sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide

sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide (PubChem CID 154724969) has the molecular formula C10F22NNaO4S2 and a molecular weight of 703.19 g/mol. Its IUPAC name is sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide.

Molecular Properties

• Compound Name: sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
• PubChem CID: 154724969
• Molecular Formula: C10F22NNaO4S2
• Molecular Weight: 703.19 g/mol
• Exact Mass: 702.88
• IUPAC Name: sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
• SMILES: O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
• InChI: InChI=1S/C10F22NO4S2.Na/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(34,35)33-39(36,37)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28;/q-1;+1
• InChIKey: DXEOJJPJMKXCAV-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 82.38 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	703.19
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide?

The IUPAC name of sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide (CID 154724969) is sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide.

What is the SMILES notation for sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide?

The canonical SMILES for sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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 bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide?

The InChIKey is DXEOJJPJMKXCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22NO4S2.Na/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(34,35)33-39(36,37)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28;/q-1;+1.

What are the key properties of sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide?

sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide has a molecular weight of 703.19 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide is sourced from PubChem (CID 154724969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).