6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H14BrN3O3S — CID 129053955

IUPAC6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S/c13-9-1-2-11-14-7-12(16(11)8-9)20(17,18)15-10-3-5-19-6-4-10/h1-2,7-8,10,15H,3-6H2
InChIKeyYYXXAFIIGQGLIW-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.55
Rot. Bonds3

About 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 129053955) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID129053955
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S/c13-9-1-2-11-14-7-12(16(11)8-9)20(17,18)15-10-3-5-19-6-4-10/h1-2,7-8,10,15H,3-6H2
InChIKeyYYXXAFIIGQGLIW-UHFFFAOYSA-N
XLogP1.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 129053955) is 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NC1CCOCC1)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is YYXXAFIIGQGLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c13-9-1-2-11-14-7-12(16(11)8-9)20(17,18)15-10-3-5-19-6-4-10/h1-2,7-8,10,15H,3-6H2.
What are the key properties of 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 360.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 129053955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).