4-(benzenesulfonyl)pyridine

C11H9NO2S — CID 612908

IUPAC4-(benzenesulfonyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C11H9NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-9H
InChIKeyGAVOFPGBFXNBPF-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.91
Rot. Bonds2

About 4-(benzenesulfonyl)pyridine

4-(benzenesulfonyl)pyridine (PubChem CID 612908) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(benzenesulfonyl)pyridine.

Molecular Properties

Compound Name4-(benzenesulfonyl)pyridine
PubChem CID612908
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name4-(benzenesulfonyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C11H9NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-9H
InChIKeyGAVOFPGBFXNBPF-UHFFFAOYSA-N
XLogP1.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)pyridine?
The IUPAC name of 4-(benzenesulfonyl)pyridine (CID 612908) is 4-(benzenesulfonyl)pyridine.
What is the SMILES notation for 4-(benzenesulfonyl)pyridine?
The canonical SMILES for 4-(benzenesulfonyl)pyridine is O=S(=O)(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-(benzenesulfonyl)pyridine?
The InChIKey is GAVOFPGBFXNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-9H.
What are the key properties of 4-(benzenesulfonyl)pyridine?
4-(benzenesulfonyl)pyridine has a molecular weight of 219.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)pyridine is sourced from PubChem (CID 612908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).