N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C19H12FN5O2S — CID 134368297

IUPACN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESC#Cc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4)c3)nn12
InChIInChI=1S/C19H12FN5O2S/c1-2-16-12-22-19-8-7-18(23-25(16)19)13-9-15(11-21-10-13)24-28(26,27)17-5-3-14(20)4-6-17/h1,3-12,24H
InChIKeyZPFAMEZPHBDZJM-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.71
Rot. Bonds4

About N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 134368297) has the molecular formula C19H12FN5O2S and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID134368297
Molecular FormulaC19H12FN5O2S
Molecular Weight393.40 g/mol
Exact Mass393.07
IUPAC NameN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESC#Cc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4)c3)nn12
InChIInChI=1S/C19H12FN5O2S/c1-2-16-12-22-19-8-7-18(23-25(16)19)13-9-15(11-21-10-13)24-28(26,27)17-5-3-14(20)4-6-17/h1,3-12,24H
InChIKeyZPFAMEZPHBDZJM-UHFFFAOYSA-N
XLogP2.71
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[3-(2-trimethylsilylethynyl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 86718338
N-[5-[3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90152169
N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 74763247
6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
CID 123876012
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 42623383
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 20959960
3-fluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821328
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 134368297) is N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is C#Cc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4)c3)nn12.
What is the InChIKey of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZPFAMEZPHBDZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2S/c1-2-16-12-22-19-8-7-18(23-25(16)19)13-9-15(11-21-10-13)24-28(26,27)17-5-3-14(20)4-6-17/h1,3-12,24H.
What are the key properties of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 393.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 134368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).