cadmium;4-chlorobenzenesulfonic acid

C6H5CdClO3S — CID 54603804

IUPACcadmium;4-chlorobenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)cc1.[Cd]
InChIInChI=1S/C6H5ClO3S.Cd/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);
InChIKeyAARFAEZMSJDYEF-UHFFFAOYSA-N
MW305.04 g/mol
LogP1.58
Rot. Bonds1

About cadmium;4-chlorobenzenesulfonic acid

cadmium;4-chlorobenzenesulfonic acid (PubChem CID 54603804) has the molecular formula C6H5CdClO3S and a molecular weight of 305.04 g/mol. Its IUPAC name is cadmium;4-chlorobenzenesulfonic acid.

Molecular Properties

Compound Namecadmium;4-chlorobenzenesulfonic acid
PubChem CID54603804
Molecular FormulaC6H5CdClO3S
Molecular Weight305.04 g/mol
Exact Mass305.87
IUPAC Namecadmium;4-chlorobenzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)cc1.[Cd]
InChIInChI=1S/C6H5ClO3S.Cd/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);
InChIKeyAARFAEZMSJDYEF-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.04
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-chloropyridine-3-sulfonic acid
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7-chloro-9,10-dioxoanthracene-2-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of cadmium;4-chlorobenzenesulfonic acid?
The IUPAC name of cadmium;4-chlorobenzenesulfonic acid (CID 54603804) is cadmium;4-chlorobenzenesulfonic acid.
What is the SMILES notation for cadmium;4-chlorobenzenesulfonic acid?
The canonical SMILES for cadmium;4-chlorobenzenesulfonic acid is O=S(=O)(O)c1ccc(Cl)cc1.[Cd].
What is the InChIKey of cadmium;4-chlorobenzenesulfonic acid?
The InChIKey is AARFAEZMSJDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S.Cd/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);.
What are the key properties of cadmium;4-chlorobenzenesulfonic acid?
cadmium;4-chlorobenzenesulfonic acid has a molecular weight of 305.04 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;4-chlorobenzenesulfonic acid is sourced from PubChem (CID 54603804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).