potassium (6-benzoylnaphthalen-2-yl) sulfate

C17H11KO5S — CID 23704364

IUPACpotassium (6-benzoylnaphthalen-2-yl) sulfate
SMILESO=C(c1ccccc1)c1ccc2cc(OS(=O)(=O)[O-])ccc2c1.[K+]
InChIInChI=1S/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1
InChIKeyQDFLHEXSNOIYQU-UHFFFAOYSA-M
MW366.44 g/mol
LogP-0.09
Rot. Bonds4

About potassium (6-benzoylnaphthalen-2-yl) sulfate

potassium (6-benzoylnaphthalen-2-yl) sulfate (PubChem CID 23704364) has the molecular formula C17H11KO5S and a molecular weight of 366.44 g/mol. Its IUPAC name is potassium (6-benzoylnaphthalen-2-yl) sulfate.

Molecular Properties

Compound Namepotassium (6-benzoylnaphthalen-2-yl) sulfate
PubChem CID23704364
Molecular FormulaC17H11KO5S
Molecular Weight366.44 g/mol
Exact Mass366.00
IUPAC Namepotassium (6-benzoylnaphthalen-2-yl) sulfate
SMILESO=C(c1ccccc1)c1ccc2cc(OS(=O)(=O)[O-])ccc2c1.[K+]
InChIInChI=1S/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1
InChIKeyQDFLHEXSNOIYQU-UHFFFAOYSA-M
XLogP-0.09
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (6-benzoylnaphthalen-2-yl) sulfate?
The IUPAC name of potassium (6-benzoylnaphthalen-2-yl) sulfate (CID 23704364) is potassium (6-benzoylnaphthalen-2-yl) sulfate.
What is the SMILES notation for potassium (6-benzoylnaphthalen-2-yl) sulfate?
The canonical SMILES for potassium (6-benzoylnaphthalen-2-yl) sulfate is O=C(c1ccccc1)c1ccc2cc(OS(=O)(=O)[O-])ccc2c1.[K+].
What is the InChIKey of potassium (6-benzoylnaphthalen-2-yl) sulfate?
The InChIKey is QDFLHEXSNOIYQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1.
What are the key properties of potassium (6-benzoylnaphthalen-2-yl) sulfate?
potassium (6-benzoylnaphthalen-2-yl) sulfate has a molecular weight of 366.44 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (6-benzoylnaphthalen-2-yl) sulfate is sourced from PubChem (CID 23704364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).