2-chlorosulfonylbenzoyl chloride

C7H4Cl2O3S — CID 641343

IUPAC2-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H4Cl2O3S/c8-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H
InChIKeyFQVVJFIHGLIEBJ-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.99
Rot. Bonds2

About 2-chlorosulfonylbenzoyl chloride

2-chlorosulfonylbenzoyl chloride (PubChem CID 641343) has the molecular formula C7H4Cl2O3S and a molecular weight of 239.08 g/mol. Its IUPAC name is 2-chlorosulfonylbenzoyl chloride.

Molecular Properties

Compound Name2-chlorosulfonylbenzoyl chloride
PubChem CID641343
Molecular FormulaC7H4Cl2O3S
Molecular Weight239.08 g/mol
Exact Mass237.93
IUPAC Name2-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H4Cl2O3S/c8-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H
InChIKeyFQVVJFIHGLIEBJ-UHFFFAOYSA-N
XLogP1.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chlorosulfonylbenzoyl 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 2-chlorosulfonylbenzoyl chloride?
The IUPAC name of 2-chlorosulfonylbenzoyl chloride (CID 641343) is 2-chlorosulfonylbenzoyl chloride.
What is the SMILES notation for 2-chlorosulfonylbenzoyl chloride?
The canonical SMILES for 2-chlorosulfonylbenzoyl chloride is O=C(Cl)c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonylbenzoyl chloride?
The InChIKey is FQVVJFIHGLIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O3S/c8-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H.
What are the key properties of 2-chlorosulfonylbenzoyl chloride?
2-chlorosulfonylbenzoyl chloride has a molecular weight of 239.08 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonylbenzoyl chloride is sourced from PubChem (CID 641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).