2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine

C11H10N2O4S2 — CID 139827432

IUPAC2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
SMILESO=S(=O)(CS(=O)(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C11H10N2O4S2/c14-18(15,10-5-1-3-7-12-10)9-19(16,17)11-6-2-4-8-13-11/h1-8H,9H2
InChIKeyQMOSLQSITZTKMK-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.68
Rot. Bonds4

About 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine

2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine (PubChem CID 139827432) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
PubChem CID139827432
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
SMILESO=S(=O)(CS(=O)(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C11H10N2O4S2/c14-18(15,10-5-1-3-7-12-10)9-19(16,17)11-6-2-4-8-13-11/h1-8H,9H2
InChIKeyQMOSLQSITZTKMK-UHFFFAOYSA-N
XLogP0.68
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine?
The IUPAC name of 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine (CID 139827432) is 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine.
What is the SMILES notation for 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine?
The canonical SMILES for 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine is O=S(=O)(CS(=O)(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine?
The InChIKey is QMOSLQSITZTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-18(15,10-5-1-3-7-12-10)9-19(16,17)11-6-2-4-8-13-11/h1-8H,9H2.
What are the key properties of 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine?
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine has a molecular weight of 298.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine is sourced from PubChem (CID 139827432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).