2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C16H14F3N5O4S — CID 46931442

IUPAC2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESO=C(Nc1cn2nc(-c3cccc(S(=O)(=O)NCCO)c3)ccc2n1)C(F)(F)F
InChIInChI=1S/C16H14F3N5O4S/c17-16(18,19)15(26)22-13-9-24-14(21-13)5-4-12(23-24)10-2-1-3-11(8-10)29(27,28)20-6-7-25/h1-5,8-9,20,25H,6-7H2,(H,22,26)
InChIKeyUVNAJCCGZBODGX-UHFFFAOYSA-N
MW429.38 g/mol
LogP1.17
Rot. Bonds6

About 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide

2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 46931442) has the molecular formula C16H14F3N5O4S and a molecular weight of 429.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID46931442
Molecular FormulaC16H14F3N5O4S
Molecular Weight429.38 g/mol
Exact Mass429.07
IUPAC Name2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESO=C(Nc1cn2nc(-c3cccc(S(=O)(=O)NCCO)c3)ccc2n1)C(F)(F)F
InChIInChI=1S/C16H14F3N5O4S/c17-16(18,19)15(26)22-13-9-24-14(21-13)5-4-12(23-24)10-2-1-3-11(8-10)29(27,28)20-6-7-25/h1-5,8-9,20,25H,6-7H2,(H,22,26)
InChIKeyUVNAJCCGZBODGX-UHFFFAOYSA-N
XLogP1.17
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 46931442) is 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide is O=C(Nc1cn2nc(-c3cccc(S(=O)(=O)NCCO)c3)ccc2n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is UVNAJCCGZBODGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O4S/c17-16(18,19)15(26)22-13-9-24-14(21-13)5-4-12(23-24)10-2-1-3-11(8-10)29(27,28)20-6-7-25/h1-5,8-9,20,25H,6-7H2,(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 429.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 46931442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).