2-(benzenesulfonylmethyl)pyridine

C12H11NO2S — CID 3321062

IUPAC2-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-9H,10H2
InChIKeyPPFKQEVWJGRSJC-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds3

About 2-(benzenesulfonylmethyl)pyridine

2-(benzenesulfonylmethyl)pyridine (PubChem CID 3321062) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)pyridine
PubChem CID3321062
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-9H,10H2
InChIKeyPPFKQEVWJGRSJC-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

Analyze 2-(benzenesulfonylmethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(1-Pyridinio)-1-propanesulfonate
CID 84929
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
2-(2'-Thienyl)pyridine
CID 76832
2-(Benzenesulfonyl)pyridine
CID 289829
4-(Phenylthio)pyridine
CID 99184
2-Pyridineethanesulfonic acid
CID 96724
4-{2-[(4-Methylphenyl)sulfonyl]ethyl}pyridine
CID 571666
2-Phenylthiopyridine
CID 817760
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
2-(Methylsulfonyl)pyridine
CID 98667
5-(2-Pyridinyl)-2-thiophenesulfonamide
CID 2760514

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)pyridine (CID 3321062) is 2-(benzenesulfonylmethyl)pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)pyridine is O=S(=O)(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)pyridine?
The InChIKey is PPFKQEVWJGRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-16(15,12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonylmethyl)pyridine?
2-(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 2-(benzenesulfonylmethyl)pyridine is sourced from PubChem (CID 3321062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).