3-(benzenesulfonylmethyl)pyridine

C12H11NO2S — CID 10911454

IUPAC3-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-6-2-1-3-7-12)10-11-5-4-8-13-9-11/h1-9H,10H2
InChIKeyNYANCYPJKOOJRB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds3

About 3-(benzenesulfonylmethyl)pyridine

3-(benzenesulfonylmethyl)pyridine (PubChem CID 10911454) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)pyridine.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)pyridine
PubChem CID10911454
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-6-2-1-3-7-12)10-11-5-4-8-13-9-11/h1-9H,10H2
InChIKeyNYANCYPJKOOJRB-UHFFFAOYSA-N
XLogP2.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)pyridine?
The IUPAC name of 3-(benzenesulfonylmethyl)pyridine (CID 10911454) is 3-(benzenesulfonylmethyl)pyridine.
What is the SMILES notation for 3-(benzenesulfonylmethyl)pyridine?
The canonical SMILES for 3-(benzenesulfonylmethyl)pyridine is O=S(=O)(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)pyridine?
The InChIKey is NYANCYPJKOOJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-16(15,12-6-2-1-3-7-12)10-11-5-4-8-13-9-11/h1-9H,10H2.
What are the key properties of 3-(benzenesulfonylmethyl)pyridine?
3-(benzenesulfonylmethyl)pyridine has a molecular weight of 233.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)pyridine is sourced from PubChem (CID 10911454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).