2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine

C14H12N2O2S — CID 3558681

IUPAC2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-19(18,13-6-2-1-3-7-13)11-12-10-16-9-5-4-8-14(16)15-12/h1-10H,11H2
InChIKeyPPSICRYRUFXDOU-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.31
Rot. Bonds3

About 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine

2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine (PubChem CID 3558681) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine
PubChem CID3558681
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-19(18,13-6-2-1-3-7-13)11-12-10-16-9-5-4-8-14(16)15-12/h1-10H,11H2
InChIKeyPPSICRYRUFXDOU-UHFFFAOYSA-N
XLogP2.31
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine (CID 3558681) is 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine is O=S(=O)(Cc1cn2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is PPSICRYRUFXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18,13-6-2-1-3-7-13)11-12-10-16-9-5-4-8-14(16)15-12/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine?
2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 272.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 3558681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).