2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine

C13H15NO2S — CID 171384350

IUPAC2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC=CC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-14-10-6-5-7-12(14)11-17(15,16)13-8-3-2-4-9-13/h2-10,12H,11H2,1H3
InChIKeyCDPUJFCEQBOLTC-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.84
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine

2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine (PubChem CID 171384350) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine
PubChem CID171384350
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine
SMILESCN1C=CC=CC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-14-10-6-5-7-12(14)11-17(15,16)13-8-3-2-4-9-13/h2-10,12H,11H2,1H3
InChIKeyCDPUJFCEQBOLTC-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine (CID 171384350) is 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine is CN1C=CC=CC1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine?
The InChIKey is CDPUJFCEQBOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-14-10-6-5-7-12(14)11-17(15,16)13-8-3-2-4-9-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine?
2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine has a molecular weight of 249.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 171384350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).