2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine

C14H11IN2O2S — CID 72696215

IUPAC2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccccc1
InChIInChI=1S/C14H11IN2O2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyBETAHDNWKVYNIW-UHFFFAOYSA-N
MW398.23 g/mol
LogP2.91
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine

2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine (PubChem CID 72696215) has the molecular formula C14H11IN2O2S and a molecular weight of 398.23 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine
PubChem CID72696215
Molecular FormulaC14H11IN2O2S
Molecular Weight398.23 g/mol
Exact Mass397.96
IUPAC Name2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccccc1
InChIInChI=1S/C14H11IN2O2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyBETAHDNWKVYNIW-UHFFFAOYSA-N
XLogP2.91
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine (CID 72696215) is 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine is O=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine?
The InChIKey is BETAHDNWKVYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine?
2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine has a molecular weight of 398.23 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-6-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 72696215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).