azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate

C6H9F9N2O3S — CID 134814664

IUPACazanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
SMILESO=S(=O)(NCC[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6H5F9NO3S.H3N/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17;/h16H,1-2H2;1H3/q-1;/p+1
InChIKeyUVASEIOPFZQHHC-UHFFFAOYSA-O
MW360.20 g/mol
LogP1.07
Rot. Bonds6

About azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate

azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate (PubChem CID 134814664) has the molecular formula C6H9F9N2O3S and a molecular weight of 360.20 g/mol. Its IUPAC name is azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate.

Molecular Properties

Compound Nameazanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
PubChem CID134814664
Molecular FormulaC6H9F9N2O3S
Molecular Weight360.20 g/mol
Exact Mass360.02
IUPAC Nameazanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
SMILESO=S(=O)(NCC[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6H5F9NO3S.H3N/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17;/h16H,1-2H2;1H3/q-1;/p+1
InChIKeyUVASEIOPFZQHHC-UHFFFAOYSA-O
XLogP1.07
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluoro-N-propyltridecane-1-sulfonamide
CID 165364439
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 57144434
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)hexane-1-sulfonamide
CID 141055320
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propan-1-amine oxide
CID 138395010
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecylsulfonylamino)propan-1-amine oxide
CID 165364501
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate
CID 129294908
N-(2-ethenoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 18759484
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyprop-2-enyl)octane-1-sulfonamide
CID 165362509
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-hydroxy-dimethylazanium
CID 163324069
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)octane-1-sulfonamide
CID 18759482
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 175332736

Frequently Asked Questions

What is the IUPAC name of azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate?
The IUPAC name of azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate (CID 134814664) is azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate.
What is the SMILES notation for azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate?
The canonical SMILES for azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate is O=S(=O)(NCC[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+].
What is the InChIKey of azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate?
The InChIKey is UVASEIOPFZQHHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5F9NO3S.H3N/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17;/h16H,1-2H2;1H3/q-1;/p+1.
What are the key properties of azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate?
azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate has a molecular weight of 360.20 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate is sourced from PubChem (CID 134814664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).