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

C12H14BrN3O3S — CID 129053958

IUPAC6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S/c13-9-3-4-11-14-6-12(16(11)7-9)20(17,18)15-10-2-1-5-19-8-10/h3-4,6-7,10,15H,1-2,5,8H2
InChIKeyWHKBYUPIOXHOFN-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.55
Rot. Bonds3

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

6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 129053958) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID129053958
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S/c13-9-3-4-11-14-6-12(16(11)7-9)20(17,18)15-10-2-1-5-19-8-10/h3-4,6-7,10,15H,1-2,5,8H2
InChIKeyWHKBYUPIOXHOFN-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-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 129053958) is 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NC1CCCOC1)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is WHKBYUPIOXHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c13-9-3-4-11-14-6-12(16(11)7-9)20(17,18)15-10-2-1-5-19-8-10/h3-4,6-7,10,15H,1-2,5,8H2.
What are the key properties of 6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
6-bromo-N-(oxan-3-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-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 129053958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).