4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide

C20H17FN4O3S — CID 16886477

IUPAC4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)cn2n1
InChIInChI=1S/C20H17FN4O3S/c1-13-11-16(7-8-17(13)21)29(26,27)24-15-5-3-14(4-6-15)18-12-25-19(22-18)9-10-20(23-25)28-2/h3-12,24H,1-2H3
InChIKeyRPHORCGLFHPALZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.65
Rot. Bonds5

About 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide

4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 16886477) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
PubChem CID16886477
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)cn2n1
InChIInChI=1S/C20H17FN4O3S/c1-13-11-16(7-8-17(13)21)29(26,27)24-15-5-3-14(4-6-15)18-12-25-19(22-18)9-10-20(23-25)28-2/h3-12,24H,1-2H3
InChIKeyRPHORCGLFHPALZ-UHFFFAOYSA-N
XLogP3.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide (CID 16886477) is 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide is COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)cn2n1.
What is the InChIKey of 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is RPHORCGLFHPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-13-11-16(7-8-17(13)21)29(26,27)24-15-5-3-14(4-6-15)18-12-25-19(22-18)9-10-20(23-25)28-2/h3-12,24H,1-2H3.
What are the key properties of 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 412.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 16886477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).