potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide

C11H12F3KN2O3S — CID 76957315

IUPACpotassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide
SMILESCC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C.[K+]
InChIInChI=1S/C11H12F3N2O3S.K/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14;/h4-5H,1-3H3,(H,15,17);/q-1;+1
InChIKeyQTWDVSMYLOZQBZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.12
Rot. Bonds3

About potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide

potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide (PubChem CID 76957315) has the molecular formula C11H12F3KN2O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namepotassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide
PubChem CID76957315
Molecular FormulaC11H12F3KN2O3S
Molecular Weight348.39 g/mol
Exact Mass348.02
IUPAC Namepotassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide
SMILESCC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C.[K+]
InChIInChI=1S/C11H12F3N2O3S.K/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14;/h4-5H,1-3H3,(H,15,17);/q-1;+1
InChIKeyQTWDVSMYLOZQBZ-UHFFFAOYSA-N
XLogP0.12
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide?
The IUPAC name of potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide (CID 76957315) is potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide is CC(=O)Nc1cc([N-]S(=O)(=O)C(F)(F)F)c(C)cc1C.[K+].
What is the InChIKey of potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide?
The InChIKey is QTWDVSMYLOZQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N2O3S.K/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14;/h4-5H,1-3H3,(H,15,17);/q-1;+1.
What are the key properties of potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide?
potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide has a molecular weight of 348.39 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-acetamido-2,4-dimethylphenyl)-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 76957315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).