potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide

C5H6F5KNO4S2+ — CID 159175349

IUPACpotassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C5H6F5NO4S2.K/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7;/h2,4H,1,3H2;/q;+1
InChIKeyKXPLMVDKZMFVJW-UHFFFAOYSA-N
MW342.33 g/mol
LogP-1.35
Rot. Bonds5

About potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide

potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide (PubChem CID 159175349) has the molecular formula C5H6F5KNO4S2+ and a molecular weight of 342.33 g/mol. Its IUPAC name is potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Namepotassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
PubChem CID159175349
Molecular FormulaC5H6F5KNO4S2+
Molecular Weight342.33 g/mol
Exact Mass341.93
IUPAC Namepotassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C5H6F5NO4S2.K/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7;/h2,4H,1,3H2;/q;+1
InChIKeyKXPLMVDKZMFVJW-UHFFFAOYSA-N
XLogP-1.35
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The IUPAC name of potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide (CID 159175349) is potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide.
What is the SMILES notation for potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The canonical SMILES for potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F.[K+].
What is the InChIKey of potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The InChIKey is KXPLMVDKZMFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S2.K/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7;/h2,4H,1,3H2;/q;+1.
What are the key properties of potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide has a molecular weight of 342.33 g/mol, XLogP of -1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 159175349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).