dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate

C14H8I2K2O6S2 — CID 162699850

IUPACdipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(I)ccc1/C=C/c1ccc(I)cc1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H10I2O6S2.2K/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/b2-1+;;
InChIKeyOQPOCTJWFVNXTQ-SEPHDYHBSA-L
MW668.35 g/mol
LogP-3.12
Rot. Bonds4

About dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate

dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate (PubChem CID 162699850) has the molecular formula C14H8I2K2O6S2 and a molecular weight of 668.35 g/mol. Its IUPAC name is dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate.

Molecular Properties

Compound Namedipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate
PubChem CID162699850
Molecular FormulaC14H8I2K2O6S2
Molecular Weight668.35 g/mol
Exact Mass667.71
IUPAC Namedipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(I)ccc1/C=C/c1ccc(I)cc1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H10I2O6S2.2K/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/b2-1+;;
InChIKeyOQPOCTJWFVNXTQ-SEPHDYHBSA-L
XLogP-3.12
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.35
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The IUPAC name of dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate (CID 162699850) is dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate.
What is the SMILES notation for dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The canonical SMILES for dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate is O=S(=O)([O-])c1cc(I)ccc1/C=C/c1ccc(I)cc1S(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate?
The InChIKey is OQPOCTJWFVNXTQ-SEPHDYHBSA-L. The full InChI is InChI=1S/C14H10I2O6S2.2K/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/b2-1+;;.
What are the key properties of dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate?
dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate has a molecular weight of 668.35 g/mol, XLogP of -3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;5-iodo-2-[(E)-2-(4-iodo-2-sulfonatophenyl)ethenyl]benzenesulfonate is sourced from PubChem (CID 162699850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).