sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide

C4HF9NNaO2S — CID 10958204

IUPACsodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4HF9NO2S.Na/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1
InChIKeyBGMFACXUQSLUPX-UHFFFAOYSA-N
MW321.10 g/mol
LogP-0.20
Rot. Bonds3

About sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide

sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (PubChem CID 10958204) has the molecular formula C4HF9NNaO2S and a molecular weight of 321.10 g/mol. Its IUPAC name is sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.

Molecular Properties

Compound Namesodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
PubChem CID10958204
Molecular FormulaC4HF9NNaO2S
Molecular Weight321.10 g/mol
Exact Mass320.95
IUPAC Namesodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4HF9NO2S.Na/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1
InChIKeyBGMFACXUQSLUPX-UHFFFAOYSA-N
XLogP-0.20
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 5-0.20
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

Perfluorohexanesulfonamide
CID 11603678
Perfluorobutane sulfonamide
CID 10958205
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
CID 163207
1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
CID 23645539
Sodium perfluorohexanesulfonamide
CID 46865217
Perfluoropentane sulfonamide
CID 87793813
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Sodium perfluorobutanesulfonate
CID 23678450
Potassium (perfluorobutanesulfonyl)azanide
CID 141294936

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The IUPAC name of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (CID 10958204) is sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.
What is the SMILES notation for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The canonical SMILES for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide is [NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The InChIKey is BGMFACXUQSLUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9NO2S.Na/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1.
What are the key properties of sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide has a molecular weight of 321.10 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide is sourced from PubChem (CID 10958204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).