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

C15H12ClKO4S — CID 134871528

IUPACpotassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate
SMILESCO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C15H13ClO4S.K/c1-20-15(14(17)11-5-3-2-4-6-11)21(18,19)13-9-7-12(16)8-10-13;/h2-10,17H,1H3;/q;+1/p-1/b15-14-;
InChIKeyJNOUGFPBXSTKQX-BGWNKZQTSA-M
MW362.88 g/mol
LogP-0.55
Rot. Bonds4

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

potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate (PubChem CID 134871528) has the molecular formula C15H12ClKO4S and a molecular weight of 362.88 g/mol. Its IUPAC name is potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate.

Molecular Properties

Compound Namepotassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate
PubChem CID134871528
Molecular FormulaC15H12ClKO4S
Molecular Weight362.88 g/mol
Exact Mass361.98
IUPAC Namepotassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate
SMILESCO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C15H13ClO4S.K/c1-20-15(14(17)11-5-3-2-4-6-11)21(18,19)13-9-7-12(16)8-10-13;/h2-10,17H,1H3;/q;+1/p-1/b15-14-;
InChIKeyJNOUGFPBXSTKQX-BGWNKZQTSA-M
XLogP-0.55
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 5-0.55
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-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate?
The IUPAC name of potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate (CID 134871528) is potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate.
What is the SMILES notation for potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate?
The canonical SMILES for potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate is CO/C(=C(/[O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate?
The InChIKey is JNOUGFPBXSTKQX-BGWNKZQTSA-M. The full InChI is InChI=1S/C15H13ClO4S.K/c1-20-15(14(17)11-5-3-2-4-6-11)21(18,19)13-9-7-12(16)8-10-13;/h2-10,17H,1H3;/q;+1/p-1/b15-14-;.
What are the key properties of potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate?
potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate has a molecular weight of 362.88 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-2-(4-chlorophenyl)sulfonyl-2-methoxy-1-phenylethenolate is sourced from PubChem (CID 134871528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).