2-(2-chlorophenyl)ethynesulfonyl chloride

C8H4Cl2O2S — CID 117265331

IUPAC2-(2-chlorophenyl)ethynesulfonyl chloride
SMILESO=S(=O)(Cl)C#Cc1ccccc1Cl
InChIInChI=1S/C8H4Cl2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H
InChIKeyBXPZGZYQLPTZNL-UHFFFAOYSA-N
MW235.09 g/mol
LogP2.22
Rot. Bonds

About 2-(2-chlorophenyl)ethynesulfonyl chloride

2-(2-chlorophenyl)ethynesulfonyl chloride (PubChem CID 117265331) has the molecular formula C8H4Cl2O2S and a molecular weight of 235.09 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethynesulfonyl chloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethynesulfonyl chloride
PubChem CID117265331
Molecular FormulaC8H4Cl2O2S
Molecular Weight235.09 g/mol
Exact Mass233.93
IUPAC Name2-(2-chlorophenyl)ethynesulfonyl chloride
SMILESO=S(=O)(Cl)C#Cc1ccccc1Cl
InChIInChI=1S/C8H4Cl2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H
InChIKeyBXPZGZYQLPTZNL-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethynesulfonyl chloride?
The IUPAC name of 2-(2-chlorophenyl)ethynesulfonyl chloride (CID 117265331) is 2-(2-chlorophenyl)ethynesulfonyl chloride.
What is the SMILES notation for 2-(2-chlorophenyl)ethynesulfonyl chloride?
The canonical SMILES for 2-(2-chlorophenyl)ethynesulfonyl chloride is O=S(=O)(Cl)C#Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethynesulfonyl chloride?
The InChIKey is BXPZGZYQLPTZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H.
What are the key properties of 2-(2-chlorophenyl)ethynesulfonyl chloride?
2-(2-chlorophenyl)ethynesulfonyl chloride has a molecular weight of 235.09 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethynesulfonyl chloride is sourced from PubChem (CID 117265331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).