4-iodobenzenesulfonyl chloride

C6H4ClIO2S — CID 7399

IUPAC4-iodobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(I)cc1
InChIInChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKeyPOXFXTSTVWDWIR-UHFFFAOYSA-N
MW302.52 g/mol
LogP2.22
Rot. Bonds1

About 4-iodobenzenesulfonyl chloride

4-iodobenzenesulfonyl chloride (PubChem CID 7399) has the molecular formula C6H4ClIO2S and a molecular weight of 302.52 g/mol. Its IUPAC name is 4-iodobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-iodobenzenesulfonyl chloride
PubChem CID7399
Molecular FormulaC6H4ClIO2S
Molecular Weight302.52 g/mol
Exact Mass301.87
IUPAC Name4-iodobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(I)cc1
InChIInChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKeyPOXFXTSTVWDWIR-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodobenzenesulfonyl 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-iodobenzenesulfonyl chloride?
The IUPAC name of 4-iodobenzenesulfonyl chloride (CID 7399) is 4-iodobenzenesulfonyl chloride.
What is the SMILES notation for 4-iodobenzenesulfonyl chloride?
The canonical SMILES for 4-iodobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(I)cc1.
What is the InChIKey of 4-iodobenzenesulfonyl chloride?
The InChIKey is POXFXTSTVWDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H.
What are the key properties of 4-iodobenzenesulfonyl chloride?
4-iodobenzenesulfonyl chloride has a molecular weight of 302.52 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzenesulfonyl chloride is sourced from PubChem (CID 7399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).