pyridine-3-sulfonyl chloride;hydrochloride

C5H5Cl2NO2S — CID 12571517

IUPACpyridine-3-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1cccnc1
InChIInChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H
InChIKeyVIVPWOMJFLICOZ-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.43
Rot. Bonds1

About pyridine-3-sulfonyl chloride;hydrochloride

pyridine-3-sulfonyl chloride;hydrochloride (PubChem CID 12571517) has the molecular formula C5H5Cl2NO2S and a molecular weight of 214.07 g/mol. Its IUPAC name is pyridine-3-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Namepyridine-3-sulfonyl chloride;hydrochloride
PubChem CID12571517
Molecular FormulaC5H5Cl2NO2S
Molecular Weight214.07 g/mol
Exact Mass212.94
IUPAC Namepyridine-3-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1cccnc1
InChIInChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H
InChIKeyVIVPWOMJFLICOZ-UHFFFAOYSA-N
XLogP1.43
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-sulfonyl chloride;hydrochloride?
The IUPAC name of pyridine-3-sulfonyl chloride;hydrochloride (CID 12571517) is pyridine-3-sulfonyl chloride;hydrochloride.
What is the SMILES notation for pyridine-3-sulfonyl chloride;hydrochloride?
The canonical SMILES for pyridine-3-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1cccnc1.
What is the InChIKey of pyridine-3-sulfonyl chloride;hydrochloride?
The InChIKey is VIVPWOMJFLICOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H.
What are the key properties of pyridine-3-sulfonyl chloride;hydrochloride?
pyridine-3-sulfonyl chloride;hydrochloride has a molecular weight of 214.07 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 12571517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).