bis(trifluoromethylsulfonyl)azanide;heptylazanium

C9H18F6N2O4S2 — CID 141148409

IUPACbis(trifluoromethylsulfonyl)azanide;heptylazanium
SMILESCCCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H17N.C2F6NO4S2/c1-2-3-4-5-6-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-8H2,1H3;/q;-1/p+1
InChIKeyGJSCBOCABRWECL-UHFFFAOYSA-O
MW396.38 g/mol
LogP2.26
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;heptylazanium

bis(trifluoromethylsulfonyl)azanide;heptylazanium (PubChem CID 141148409) has the molecular formula C9H18F6N2O4S2 and a molecular weight of 396.38 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;heptylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;heptylazanium
PubChem CID141148409
Molecular FormulaC9H18F6N2O4S2
Molecular Weight396.38 g/mol
Exact Mass396.06
IUPAC Namebis(trifluoromethylsulfonyl)azanide;heptylazanium
SMILESCCCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H17N.C2F6NO4S2/c1-2-3-4-5-6-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-8H2,1H3;/q;-1/p+1
InChIKeyGJSCBOCABRWECL-UHFFFAOYSA-O
XLogP2.26
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-decyl-1,1,1-trifluoromethanesulfonamide
CID 87227692
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
N-(7,7,7-trifluoroheptyl)methanesulfonamide
CID 138981048
N-decyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 20406355
1,1,1-trifluoro-N-octylmethanesulfonamide
CID 54527163
N-dodecyl-1,1-difluoromethanesulfonamide
CID 58435936
1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
CID 58833888
1,1,2,2,3,3-hexafluoro-N-tridecyl-3-(trioxidanylsulfanyl)propane-1-sulfonamide
CID 58833889
N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962026
N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962027
1,1-difluoro-N-octadecyl-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962043

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptylazanium (CID 141148409) is bis(trifluoromethylsulfonyl)azanide;heptylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;heptylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;heptylazanium is CCCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;heptylazanium?
The InChIKey is GJSCBOCABRWECL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N.C2F6NO4S2/c1-2-3-4-5-6-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-8H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;heptylazanium?
bis(trifluoromethylsulfonyl)azanide;heptylazanium has a molecular weight of 396.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;heptylazanium is sourced from PubChem (CID 141148409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).