bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide

C18H34F6N3O6S4- — CID 59106093

IUPACbis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCCCCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F6N3O6S4/c1-3-5-7-9-11-13-15-34(28,26-36(30,31)17(19,20)21)25-35(29,16-14-12-10-8-6-4-2)27-37(32,33)18(22,23)24/h3-16H2,1-2H3/q-1
InChIKeyWTNJFNQIETYBRB-UHFFFAOYSA-N
MW630.74 g/mol
LogP6.55
Rot. Bonds18

About bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide

bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (PubChem CID 59106093) has the molecular formula C18H34F6N3O6S4- and a molecular weight of 630.74 g/mol. Its IUPAC name is bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.

Molecular Properties

Compound Namebis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
PubChem CID59106093
Molecular FormulaC18H34F6N3O6S4-
Molecular Weight630.74 g/mol
Exact Mass630.12
IUPAC Namebis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCCCCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H34F6N3O6S4/c1-3-5-7-9-11-13-15-34(28,26-36(30,31)17(19,20)21)25-35(29,16-14-12-10-8-6-4-2)27-37(32,33)18(22,23)24/h3-16H2,1-2H3/q-1
InChIKeyWTNJFNQIETYBRB-UHFFFAOYSA-N
XLogP6.55
TPSA141.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.74
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6:2/8:2 FTSAm dimer
CID 176514727
6:2/6:2 FTSAm dimer
CID 176514729
1,1,1-trifluoro-N-[octyl-[[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]-oxo-lambda6-sulfanylidene]methanesulfonamide
CID 20577522
[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705426
[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705430
[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite
CID 20705460
bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
CID 20750473
Octylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046727
N-(trifluoromethylsulfonyl)octane-1-sulfonamide
CID 59046728
1,1,1,2-Tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046742
N-(trifluoromethylsulfonyl)hexadecane-1-sulfonamide
CID 59801424
Decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584

Frequently Asked Questions

What is the IUPAC name of bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The IUPAC name of bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (CID 59106093) is bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.
What is the SMILES notation for bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The canonical SMILES for bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is CCCCCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCCCCCC)=NS(=O)(=O)C(F)(F)F.
What is the InChIKey of bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The InChIKey is WTNJFNQIETYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F6N3O6S4/c1-3-5-7-9-11-13-15-34(28,26-36(30,31)17(19,20)21)25-35(29,16-14-12-10-8-6-4-2)27-37(32,33)18(22,23)24/h3-16H2,1-2H3/q-1.
What are the key properties of bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide has a molecular weight of 630.74 g/mol, XLogP of 6.55, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is sourced from PubChem (CID 59106093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).