5-methylpyridine-3-sulfonyl chloride;hydrochloride

C6H7Cl2NO2S — CID 131801124

IUPAC5-methylpyridine-3-sulfonyl chloride;hydrochloride
SMILESCc1cncc(S(=O)(=O)Cl)c1.Cl
InChIInChI=1S/C6H6ClNO2S.ClH/c1-5-2-6(4-8-3-5)11(7,9)10;/h2-4H,1H3;1H
InChIKeyVZJQZUMPBMGRFG-UHFFFAOYSA-N
MW228.10 g/mol
LogP1.74
Rot. Bonds1

About 5-methylpyridine-3-sulfonyl chloride;hydrochloride

5-methylpyridine-3-sulfonyl chloride;hydrochloride (PubChem CID 131801124) has the molecular formula C6H7Cl2NO2S and a molecular weight of 228.10 g/mol. Its IUPAC name is 5-methylpyridine-3-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name5-methylpyridine-3-sulfonyl chloride;hydrochloride
PubChem CID131801124
Molecular FormulaC6H7Cl2NO2S
Molecular Weight228.10 g/mol
Exact Mass226.96
IUPAC Name5-methylpyridine-3-sulfonyl chloride;hydrochloride
SMILESCc1cncc(S(=O)(=O)Cl)c1.Cl
InChIInChI=1S/C6H6ClNO2S.ClH/c1-5-2-6(4-8-3-5)11(7,9)10;/h2-4H,1H3;1H
InChIKeyVZJQZUMPBMGRFG-UHFFFAOYSA-N
XLogP1.74
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-3-sulfonyl chloride;hydrochloride?
The IUPAC name of 5-methylpyridine-3-sulfonyl chloride;hydrochloride (CID 131801124) is 5-methylpyridine-3-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 5-methylpyridine-3-sulfonyl chloride;hydrochloride?
The canonical SMILES for 5-methylpyridine-3-sulfonyl chloride;hydrochloride is Cc1cncc(S(=O)(=O)Cl)c1.Cl.
What is the InChIKey of 5-methylpyridine-3-sulfonyl chloride;hydrochloride?
The InChIKey is VZJQZUMPBMGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S.ClH/c1-5-2-6(4-8-3-5)11(7,9)10;/h2-4H,1H3;1H.
What are the key properties of 5-methylpyridine-3-sulfonyl chloride;hydrochloride?
5-methylpyridine-3-sulfonyl chloride;hydrochloride has a molecular weight of 228.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-3-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 131801124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).