2-benzylsulfonylpyridine

C12H11NO2S — CID 501231

IUPAC2-benzylsulfonylpyridine
SMILESO=S(=O)(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDHGLVTBPYFPTFX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds3

About 2-benzylsulfonylpyridine

2-benzylsulfonylpyridine (PubChem CID 501231) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-benzylsulfonylpyridine.

Molecular Properties

Compound Name2-benzylsulfonylpyridine
PubChem CID501231
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-benzylsulfonylpyridine
SMILESO=S(=O)(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDHGLVTBPYFPTFX-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 2-benzylsulfonylpyridine?
The IUPAC name of 2-benzylsulfonylpyridine (CID 501231) is 2-benzylsulfonylpyridine.
What is the SMILES notation for 2-benzylsulfonylpyridine?
The canonical SMILES for 2-benzylsulfonylpyridine is O=S(=O)(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 2-benzylsulfonylpyridine?
The InChIKey is DHGLVTBPYFPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-16(15,12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfonylpyridine?
2-benzylsulfonylpyridine 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-benzylsulfonylpyridine is sourced from PubChem (CID 501231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).