6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide

C9H9F3N4O3S — CID 23028150

IUPAC6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCOc1ccc2nc(C(F)(F)F)c(S(N)(=O)=O)n2n1
InChIInChI=1S/C9H9F3N4O3S/c1-2-19-6-4-3-5-14-7(9(10,11)12)8(16(5)15-6)20(13,17)18/h3-4H,2H2,1H3,(H2,13,17,18)
InChIKeyGRQCXCOEIUSACD-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.79
Rot. Bonds3

About 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide

6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 23028150) has the molecular formula C9H9F3N4O3S and a molecular weight of 310.26 g/mol. Its IUPAC name is 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound Name6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
PubChem CID23028150
Molecular FormulaC9H9F3N4O3S
Molecular Weight310.26 g/mol
Exact Mass310.03
IUPAC Name6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCOc1ccc2nc(C(F)(F)F)c(S(N)(=O)=O)n2n1
InChIInChI=1S/C9H9F3N4O3S/c1-2-19-6-4-3-5-14-7(9(10,11)12)8(16(5)15-6)20(13,17)18/h3-4H,2H2,1H3,(H2,13,17,18)
InChIKeyGRQCXCOEIUSACD-UHFFFAOYSA-N
XLogP0.79
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide (CID 23028150) is 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide is CCOc1ccc2nc(C(F)(F)F)c(S(N)(=O)=O)n2n1.
What is the InChIKey of 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is GRQCXCOEIUSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3S/c1-2-19-6-4-3-5-14-7(9(10,11)12)8(16(5)15-6)20(13,17)18/h3-4H,2H2,1H3,(H2,13,17,18).
What are the key properties of 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 310.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 23028150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).