potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide

C5H5F6KN2O5S3 — CID 158575715

IUPACpotassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C5H5F6N2O5S3.K/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11;/h2H,1,3H2;/q-1;+1
InChIKeyLHOGRLFVFHAWDF-UHFFFAOYSA-N
MW422.39 g/mol
LogP-1.37
Rot. Bonds5

About potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide

potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide (PubChem CID 158575715) has the molecular formula C5H5F6KN2O5S3 and a molecular weight of 422.39 g/mol. Its IUPAC name is potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namepotassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
PubChem CID158575715
Molecular FormulaC5H5F6KN2O5S3
Molecular Weight422.39 g/mol
Exact Mass421.89
IUPAC Namepotassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C5H5F6N2O5S3.K/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11;/h2H,1,3H2;/q-1;+1
InChIKeyLHOGRLFVFHAWDF-UHFFFAOYSA-N
XLogP-1.37
TPSA111.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The IUPAC name of potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide (CID 158575715) is potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide is C=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[K+].
What is the InChIKey of potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The InChIKey is LHOGRLFVFHAWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N2O5S3.K/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11;/h2H,1,3H2;/q-1;+1.
What are the key properties of potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide has a molecular weight of 422.39 g/mol, XLogP of -1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 158575715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).