5-chloropyridine-2-sulfonyl chloride;hydrochloride

C5H4Cl3NO2S — CID 53408129

IUPAC5-chloropyridine-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ccc(Cl)cn1
InChIInChI=1S/C5H3Cl2NO2S.ClH/c6-4-1-2-5(8-3-4)11(7,9)10;/h1-3H;1H
InChIKeyFQZQGTAISSEOPV-UHFFFAOYSA-N
MW248.52 g/mol
LogP2.08
Rot. Bonds1

About 5-chloropyridine-2-sulfonyl chloride;hydrochloride

5-chloropyridine-2-sulfonyl chloride;hydrochloride (PubChem CID 53408129) has the molecular formula C5H4Cl3NO2S and a molecular weight of 248.52 g/mol. Its IUPAC name is 5-chloropyridine-2-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name5-chloropyridine-2-sulfonyl chloride;hydrochloride
PubChem CID53408129
Molecular FormulaC5H4Cl3NO2S
Molecular Weight248.52 g/mol
Exact Mass246.90
IUPAC Name5-chloropyridine-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ccc(Cl)cn1
InChIInChI=1S/C5H3Cl2NO2S.ClH/c6-4-1-2-5(8-3-4)11(7,9)10;/h1-3H;1H
InChIKeyFQZQGTAISSEOPV-UHFFFAOYSA-N
XLogP2.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.52
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyridine-2-sulfonyl chloride;hydrochloride?
The IUPAC name of 5-chloropyridine-2-sulfonyl chloride;hydrochloride (CID 53408129) is 5-chloropyridine-2-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 5-chloropyridine-2-sulfonyl chloride;hydrochloride?
The canonical SMILES for 5-chloropyridine-2-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloropyridine-2-sulfonyl chloride;hydrochloride?
The InChIKey is FQZQGTAISSEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO2S.ClH/c6-4-1-2-5(8-3-4)11(7,9)10;/h1-3H;1H.
What are the key properties of 5-chloropyridine-2-sulfonyl chloride;hydrochloride?
5-chloropyridine-2-sulfonyl chloride;hydrochloride has a molecular weight of 248.52 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyridine-2-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 53408129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).