2-chloropyridine-3-sulfonyl chloride

C5H3Cl2NO2S — CID 10219968

IUPAC2-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Cl
InChIInChI=1S/C5H3Cl2NO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
InChIKeyMFJSIQDQIZEVJX-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.66
Rot. Bonds1

About 2-chloropyridine-3-sulfonyl chloride

2-chloropyridine-3-sulfonyl chloride (PubChem CID 10219968) has the molecular formula C5H3Cl2NO2S and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-chloropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloropyridine-3-sulfonyl chloride
PubChem CID10219968
Molecular FormulaC5H3Cl2NO2S
Molecular Weight212.06 g/mol
Exact Mass210.93
IUPAC Name2-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Cl
InChIInChI=1S/C5H3Cl2NO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
InChIKeyMFJSIQDQIZEVJX-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 2-chloropyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloropyridine-3-sulfonyl chloride (CID 10219968) is 2-chloropyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloropyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloropyridine-3-sulfonyl chloride?
The InChIKey is MFJSIQDQIZEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H.
What are the key properties of 2-chloropyridine-3-sulfonyl chloride?
2-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 2-chloropyridine-3-sulfonyl chloride is sourced from PubChem (CID 10219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).