4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide

C20H18FN5O2S — CID 86723215

IUPAC4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide
SMILESCC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21
InChIInChI=1S/C20H18FN5O2S/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-5-8-18(21)16(9-14)13-3-6-15(7-4-13)29(22,27)28/h3-12H,1-2H3,(H2,22,27,28)
InChIKeyZASBBKUNPZHFEQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.53
Rot. Bonds4

About 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide

4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide (PubChem CID 86723215) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide
PubChem CID86723215
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide
SMILESCC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21
InChIInChI=1S/C20H18FN5O2S/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-5-8-18(21)16(9-14)13-3-6-15(7-4-13)29(22,27)28/h3-12H,1-2H3,(H2,22,27,28)
InChIKeyZASBBKUNPZHFEQ-UHFFFAOYSA-N
XLogP3.53
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide (CID 86723215) is 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide is CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21.
What is the InChIKey of 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ZASBBKUNPZHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-5-8-18(21)16(9-14)13-3-6-15(7-4-13)29(22,27)28/h3-12H,1-2H3,(H2,22,27,28).
What are the key properties of 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide?
4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(7-propan-2-ylimidazo[4,5-c]pyridazin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 86723215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).