6-methylsulfonylpyridine-3-sulfonyl chloride

C6H6ClNO4S2 — CID 91636398

IUPAC6-methylsulfonylpyridine-3-sulfonyl chloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H6ClNO4S2/c1-13(9,10)6-3-2-5(4-8-6)14(7,11)12/h2-4H,1H3
InChIKeyCEMMEPOVTSQYMW-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.41
Rot. Bonds2

About 6-methylsulfonylpyridine-3-sulfonyl chloride

6-methylsulfonylpyridine-3-sulfonyl chloride (PubChem CID 91636398) has the molecular formula C6H6ClNO4S2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-methylsulfonylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methylsulfonylpyridine-3-sulfonyl chloride
PubChem CID91636398
Molecular FormulaC6H6ClNO4S2
Molecular Weight255.70 g/mol
Exact Mass254.94
IUPAC Name6-methylsulfonylpyridine-3-sulfonyl chloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H6ClNO4S2/c1-13(9,10)6-3-2-5(4-8-6)14(7,11)12/h2-4H,1H3
InChIKeyCEMMEPOVTSQYMW-UHFFFAOYSA-N
XLogP0.41
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinesulfonic acid
CID 69468
3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
2-Pyridinesulfonic acid
CID 94849
Pyridine, 2-(methylthio)-
CID 29076
2-(Benzenesulfonyl)pyridine
CID 289829
2-(Methylsulfonyl)pyridine
CID 98667
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
4-Methanesulfonylpyridine
CID 292487
Pyridine, 3-(methylthio)-
CID 140425
4-(Methylthio)pyridine
CID 140938
4-Methylthiopyridine-3-sulfonamide
CID 46703929

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-methylsulfonylpyridine-3-sulfonyl chloride (CID 91636398) is 6-methylsulfonylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-methylsulfonylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-methylsulfonylpyridine-3-sulfonyl chloride is CS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-methylsulfonylpyridine-3-sulfonyl chloride?
The InChIKey is CEMMEPOVTSQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO4S2/c1-13(9,10)6-3-2-5(4-8-6)14(7,11)12/h2-4H,1H3.
What are the key properties of 6-methylsulfonylpyridine-3-sulfonyl chloride?
6-methylsulfonylpyridine-3-sulfonyl chloride has a molecular weight of 255.70 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 91636398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).