potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate

C16H15KO4S — CID 134871485

IUPACpotassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate
SMILESCO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(C)cc1.[K+]
InChIInChI=1S/C16H16O4S.K/c1-12-8-10-14(11-9-12)21(18,19)16(20-2)15(17)13-6-4-3-5-7-13;/h3-11,17H,1-2H3;/q;+1/p-1/b16-15-;
InChIKeyJBVYZBPKHUEDBA-YFKNTREVSA-M
MW342.46 g/mol
LogP-0.89
Rot. Bonds4

About potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate

potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate (PubChem CID 134871485) has the molecular formula C16H15KO4S and a molecular weight of 342.46 g/mol. Its IUPAC name is potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate.

Molecular Properties

Compound Namepotassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate
PubChem CID134871485
Molecular FormulaC16H15KO4S
Molecular Weight342.46 g/mol
Exact Mass342.03
IUPAC Namepotassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate
SMILESCO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(C)cc1.[K+]
InChIInChI=1S/C16H16O4S.K/c1-12-8-10-14(11-9-12)21(18,19)16(20-2)15(17)13-6-4-3-5-7-13;/h3-11,17H,1-2H3;/q;+1/p-1/b16-15-;
InChIKeyJBVYZBPKHUEDBA-YFKNTREVSA-M
XLogP-0.89
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate?
The IUPAC name of potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate (CID 134871485) is potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate.
What is the SMILES notation for potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate?
The canonical SMILES for potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate is CO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(C)cc1.[K+].
What is the InChIKey of potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate?
The InChIKey is JBVYZBPKHUEDBA-YFKNTREVSA-M. The full InChI is InChI=1S/C16H16O4S.K/c1-12-8-10-14(11-9-12)21(18,19)16(20-2)15(17)13-6-4-3-5-7-13;/h3-11,17H,1-2H3;/q;+1/p-1/b16-15-;.
What are the key properties of potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate?
potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate has a molecular weight of 342.46 g/mol, XLogP of -0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-2-methoxy-2-(4-methylphenyl)sulfonyl-1-phenylethenolate is sourced from PubChem (CID 134871485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).