azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide

C4H5F9N2O2S — CID 142748832

IUPACazanium 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.[NH4+]
InChIInChI=1S/C4HF9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);1H3/q-1;/p+1
InChIKeyJYKFXMBPZUQFSM-UHFFFAOYSA-O
MW316.15 g/mol
LogP3.17
Rot. Bonds3

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

azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (PubChem CID 142748832) has the molecular formula C4H5F9N2O2S and a molecular weight of 316.15 g/mol. Its IUPAC name is azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.

Molecular Properties

Compound Nameazanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
PubChem CID142748832
Molecular FormulaC4H5F9N2O2S
Molecular Weight316.15 g/mol
Exact Mass315.99
IUPAC Nameazanium 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.[NH4+]
InChIInChI=1S/C4HF9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);1H3/q-1;/p+1
InChIKeyJYKFXMBPZUQFSM-UHFFFAOYSA-O
XLogP3.17
TPSA94.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
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-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-, ammonium salt (1:1)
CID 71432178
Perfluoropentane sulfonamide
CID 87793813
Sodium perfluorobutane sulfonamide
CID 10958204
Octafluorobutane-1,4-disulfonamide
CID 11631855
Perfluoro-1-butanesulfinic acid ammonium
CID 18512638
Potassium (perfluorobutanesulfonyl)azanide
CID 141294936
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Azane;(1,1,2,2,3,3,4,4,4-nonafluorobutyl-oxo-oxoniumylidene-lambda6-sulfanyl)azanide
CID 170852078

Frequently Asked Questions

What is the IUPAC name of azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The IUPAC name of azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (CID 142748832) is azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.
What is the SMILES notation for azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The canonical SMILES for azanium 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.[NH4+].
What is the InChIKey of azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The InChIKey is JYKFXMBPZUQFSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4HF9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);1H3/q-1;/p+1.
What are the key properties of azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide has a molecular weight of 316.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide is sourced from PubChem (CID 142748832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).