[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride

C24H18ClIO3S2 — CID 175907983

IUPAC[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride
SMILESO=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.[Cl-]
InChIInChI=1S/C24H18IO3S2.ClH/c25-19-11-17-24(18-12-19)30(26,27)28-20-13-15-23(16-14-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-18H;1H/q+1;/p-1
InChIKeyOBBINGZCIBYFRJ-UHFFFAOYSA-M
MW580.90 g/mol
LogP3.16
Rot. Bonds6

About [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride

[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride (PubChem CID 175907983) has the molecular formula C24H18ClIO3S2 and a molecular weight of 580.90 g/mol. Its IUPAC name is [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride.

Molecular Properties

Compound Name[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride
PubChem CID175907983
Molecular FormulaC24H18ClIO3S2
Molecular Weight580.90 g/mol
Exact Mass579.94
IUPAC Name[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride
SMILESO=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.[Cl-]
InChIInChI=1S/C24H18IO3S2.ClH/c25-19-11-17-24(18-12-19)30(26,27)28-20-13-15-23(16-14-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-18H;1H/q+1;/p-1
InChIKeyOBBINGZCIBYFRJ-UHFFFAOYSA-M
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.90
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride?
The IUPAC name of [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride (CID 175907983) is [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride.
What is the SMILES notation for [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride?
The canonical SMILES for [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride is O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.[Cl-].
What is the InChIKey of [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride?
The InChIKey is OBBINGZCIBYFRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18IO3S2.ClH/c25-19-11-17-24(18-12-19)30(26,27)28-20-13-15-23(16-14-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-18H;1H/q+1;/p-1.
What are the key properties of [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride?
[4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride has a molecular weight of 580.90 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodophenyl)sulfonyloxyphenyl]-diphenylsulfanium chloride is sourced from PubChem (CID 175907983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).