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

C10H18F6N3O6S4- — CID 20750473

IUPACbis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F6N3O6S4/c1-3-5-7-26(20,18-28(22,23)9(11,12)13)17-27(21,8-6-4-2)19-29(24,25)10(14,15)16/h3-8H2,1-2H3/q-1
InChIKeyDFPNWQMFLDMMAM-UHFFFAOYSA-N
MW518.53 g/mol
LogP3.43
Rot. Bonds10

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

bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (PubChem CID 20750473) has the molecular formula C10H18F6N3O6S4- and a molecular weight of 518.53 g/mol. Its IUPAC name is bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.

Molecular Properties

Compound Namebis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
PubChem CID20750473
Molecular FormulaC10H18F6N3O6S4-
Molecular Weight518.53 g/mol
Exact Mass518.00
IUPAC Namebis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
SMILESCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F6N3O6S4/c1-3-5-7-26(20,18-28(22,23)9(11,12)13)17-27(21,8-6-4-2)19-29(24,25)10(14,15)16/h3-8H2,1-2H3/q-1
InChIKeyDFPNWQMFLDMMAM-UHFFFAOYSA-N
XLogP3.43
TPSA141.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[butyl-[[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]-oxo-lambda6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 20577523
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
CID 20577524
[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705425
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
1-Butylsulfonylsulfonyl-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 22720165
Bis(1,1,3,3-tetrafluorobutylsulfonyl)azanide
CID 58312162
butylsulfinyl-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
CID 58963276
Butylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046699
1-fluoro-N-(trifluoromethylsulfonyl)butane-2-sulfonimidate
CID 59046750
bis[S-octyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
CID 59106093
[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
CID 60022322
1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-ylsulfonyl)propane-2-sulfonamide
CID 87398894

Frequently Asked Questions

What is the IUPAC name of bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The IUPAC name of bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide (CID 20750473) is bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide.
What is the SMILES notation for bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The canonical SMILES for bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is CCCCS(=O)(=NS(=O)(=O)C(F)(F)F)[N-]S(=O)(CCCC)=NS(=O)(=O)C(F)(F)F.
What is the InChIKey of bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
The InChIKey is DFPNWQMFLDMMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6N3O6S4/c1-3-5-7-26(20,18-28(22,23)9(11,12)13)17-27(21,8-6-4-2)19-29(24,25)10(14,15)16/h3-8H2,1-2H3/q-1.
What are the key properties of bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide?
bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide has a molecular weight of 518.53 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide is sourced from PubChem (CID 20750473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).