4-chloro-2-methylpyridine-3-sulfonyl chloride

C6H5Cl2NO2S — CID 151415584

IUPAC4-chloro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-4-6(12(8,10)11)5(7)2-3-9-4/h2-3H,1H3
InChIKeyOZLIYMWKBOTHGD-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.97
Rot. Bonds1

About 4-chloro-2-methylpyridine-3-sulfonyl chloride

4-chloro-2-methylpyridine-3-sulfonyl chloride (PubChem CID 151415584) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is 4-chloro-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-methylpyridine-3-sulfonyl chloride
PubChem CID151415584
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Name4-chloro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-4-6(12(8,10)11)5(7)2-3-9-4/h2-3H,1H3
InChIKeyOZLIYMWKBOTHGD-UHFFFAOYSA-N
XLogP1.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 822454
3-chloro-2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 146380783
3-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 146380933
3-chloro-2-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
CID 146380952
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 4-chloro-2-methylpyridine-3-sulfonyl chloride (CID 151415584) is 4-chloro-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-2-methylpyridine-3-sulfonyl chloride is Cc1nccc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is OZLIYMWKBOTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-4-6(12(8,10)11)5(7)2-3-9-4/h2-3H,1H3.
What are the key properties of 4-chloro-2-methylpyridine-3-sulfonyl chloride?
4-chloro-2-methylpyridine-3-sulfonyl chloride has a molecular weight of 226.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 151415584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).