potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide

C14H10F6KN3O6S4 — CID 11215529

IUPACpotassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESO=S(=O)(N=S(=O)([N-]S(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C14H10F6N3O6S4.K/c15-13(16,17)32(26,27)22-30(24,11-7-3-1-4-8-11)21-31(25,12-9-5-2-6-10-12)23-33(28,29)14(18,19)20;/h1-10H;/q-1;+1
InChIKeyOAQDRKQFVOBODY-UHFFFAOYSA-N
MW597.60 g/mol
LogP0.95
Rot. Bonds6

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

potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (PubChem CID 11215529) has the molecular formula C14H10F6KN3O6S4 and a molecular weight of 597.60 g/mol. Its IUPAC name is potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.

Molecular Properties

Compound Namepotassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
PubChem CID11215529
Molecular FormulaC14H10F6KN3O6S4
Molecular Weight597.60 g/mol
Exact Mass596.90
IUPAC Namepotassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESO=S(=O)(N=S(=O)([N-]S(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C14H10F6N3O6S4.K/c15-13(16,17)32(26,27)22-30(24,11-7-3-1-4-8-11)21-31(25,12-9-5-2-6-10-12)23-33(28,29)14(18,19)20;/h1-10H;/q-1;+1
InChIKeyOAQDRKQFVOBODY-UHFFFAOYSA-N
XLogP0.95
TPSA141.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.60
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770
N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
CID 138974658
ethane;trifluoromethylsulfonylbenzene
CID 144556552
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
potassium benzenesulfonic acid
CID 19930600
[2,2,2-trifluoro-1-[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]oxyethyl]benzene
CID 20705391
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280
bis(trifluoromethylsulfonyl)azanide;triphenylsulfanium
CID 139203165
3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
CID 10922506
4,4-bis(benzenesulfonyl)-1,1,1-trifluorobut-3-en-2-one
CID 11177157
N-[chloro-(4-methylphenyl)-(trifluoromethylsulfonylimino)-lambda6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 15639821
benzenesulfonic acid
CID 87196622

Frequently Asked Questions

What is the IUPAC name of potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The IUPAC name of potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (CID 11215529) is potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.
What is the SMILES notation for potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The canonical SMILES for potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is O=S(=O)(N=S(=O)([N-]S(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F.[K+].
What is the InChIKey of potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The InChIKey is OAQDRKQFVOBODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N3O6S4.K/c15-13(16,17)32(26,27)22-30(24,11-7-3-1-4-8-11)21-31(25,12-9-5-2-6-10-12)23-33(28,29)14(18,19)20;/h1-10H;/q-1;+1.
What are the key properties of potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide has a molecular weight of 597.60 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is sourced from PubChem (CID 11215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).