6-chloropyridine-3-sulfonyl chloride

C5H3Cl2NO2S — CID 2792792

IUPAC6-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)nc1
InChIInChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyQXZKKHONVQGXAK-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.66
Rot. Bonds1

About 6-chloropyridine-3-sulfonyl chloride

6-chloropyridine-3-sulfonyl chloride (PubChem CID 2792792) has the molecular formula C5H3Cl2NO2S and a molecular weight of 212.06 g/mol. Its IUPAC name is 6-chloropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloropyridine-3-sulfonyl chloride
PubChem CID2792792
Molecular FormulaC5H3Cl2NO2S
Molecular Weight212.06 g/mol
Exact Mass210.93
IUPAC Name6-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)nc1
InChIInChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyQXZKKHONVQGXAK-UHFFFAOYSA-N
XLogP1.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 51.66
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 6-chloropyridine-3-sulfonyl chloride?
The IUPAC name of 6-chloropyridine-3-sulfonyl chloride (CID 2792792) is 6-chloropyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-chloropyridine-3-sulfonyl chloride?
The canonical SMILES for 6-chloropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-sulfonyl chloride?
The InChIKey is QXZKKHONVQGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H.
What are the key properties of 6-chloropyridine-3-sulfonyl chloride?
6-chloropyridine-3-sulfonyl chloride has a molecular weight of 212.06 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-sulfonyl chloride is sourced from PubChem (CID 2792792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).