5,6-dichloropyridine-3-sulfonyl chloride

C5H2Cl3NO2S — CID 4736911

IUPAC5,6-dichloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C5H2Cl3NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H
InChIKeyAXIWIKRWIWIPGT-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.32
Rot. Bonds1

About 5,6-dichloropyridine-3-sulfonyl chloride

5,6-dichloropyridine-3-sulfonyl chloride (PubChem CID 4736911) has the molecular formula C5H2Cl3NO2S and a molecular weight of 246.50 g/mol. Its IUPAC name is 5,6-dichloropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5,6-dichloropyridine-3-sulfonyl chloride
PubChem CID4736911
Molecular FormulaC5H2Cl3NO2S
Molecular Weight246.50 g/mol
Exact Mass244.89
IUPAC Name5,6-dichloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C5H2Cl3NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H
InChIKeyAXIWIKRWIWIPGT-UHFFFAOYSA-N
XLogP2.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloropyridine-3-sulfonyl chloride?
The IUPAC name of 5,6-dichloropyridine-3-sulfonyl chloride (CID 4736911) is 5,6-dichloropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5,6-dichloropyridine-3-sulfonyl chloride?
The canonical SMILES for 5,6-dichloropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloropyridine-3-sulfonyl chloride?
The InChIKey is AXIWIKRWIWIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H.
What are the key properties of 5,6-dichloropyridine-3-sulfonyl chloride?
5,6-dichloropyridine-3-sulfonyl chloride has a molecular weight of 246.50 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyridine-3-sulfonyl chloride is sourced from PubChem (CID 4736911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).