potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate

C12H17KN4O3S — CID 23717064

IUPACpotassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)/N=C(\C)[O-])cc1.[K+]
InChIInChI=1S/C12H18N4O3S.K/c1-4-16(5-2)15-13-11-6-8-12(9-7-11)20(18,19)14-10(3)17;/h6-9H,4-5H2,1-3H3,(H,14,17);/q;+1/p-1/b15-13+;
InChIKeyQUMAXEBXOQZZOZ-GVYCEHEKSA-M
MW336.46 g/mol
LogP-1.50
Rot. Bonds6

About potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate

potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate (PubChem CID 23717064) has the molecular formula C12H17KN4O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate.

Molecular Properties

Compound Namepotassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate
PubChem CID23717064
Molecular FormulaC12H17KN4O3S
Molecular Weight336.46 g/mol
Exact Mass336.07
IUPAC Namepotassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)/N=C(\C)[O-])cc1.[K+]
InChIInChI=1S/C12H18N4O3S.K/c1-4-16(5-2)15-13-11-6-8-12(9-7-11)20(18,19)14-10(3)17;/h6-9H,4-5H2,1-3H3,(H,14,17);/q;+1/p-1/b15-13+;
InChIKeyQUMAXEBXOQZZOZ-GVYCEHEKSA-M
XLogP-1.50
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate?
The IUPAC name of potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate (CID 23717064) is potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate.
What is the SMILES notation for potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate?
The canonical SMILES for potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate is CCN(CC)/N=N/c1ccc(S(=O)(=O)/N=C(\C)[O-])cc1.[K+].
What is the InChIKey of potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate?
The InChIKey is QUMAXEBXOQZZOZ-GVYCEHEKSA-M. The full InChI is InChI=1S/C12H18N4O3S.K/c1-4-16(5-2)15-13-11-6-8-12(9-7-11)20(18,19)14-10(3)17;/h6-9H,4-5H2,1-3H3,(H,14,17);/q;+1/p-1/b15-13+;.
What are the key properties of potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate?
potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate has a molecular weight of 336.46 g/mol, XLogP of -1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1E)-N-[4-(diethylaminodiazenyl)phenyl]sulfonylethanimidate is sourced from PubChem (CID 23717064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).