3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide

C17H19FN6O2S — CID 133294753

IUPAC3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
SMILESCc1nnc2ccc(N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)nn12
InChIInChI=1S/C17H19FN6O2S/c1-12-19-20-16-7-8-17(21-24(12)16)23-9-3-5-14(11-23)22-27(25,26)15-6-2-4-13(18)10-15/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3
InChIKeyOVKFOETUXMMSEJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.52
Rot. Bonds4

About 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide

3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide (PubChem CID 133294753) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
PubChem CID133294753
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC Name3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
SMILESCc1nnc2ccc(N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)nn12
InChIInChI=1S/C17H19FN6O2S/c1-12-19-20-16-7-8-17(21-24(12)16)23-9-3-5-14(11-23)22-27(25,26)15-6-2-4-13(18)10-15/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3
InChIKeyOVKFOETUXMMSEJ-UHFFFAOYSA-N
XLogP1.52
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 127447427
N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 136542425

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide (CID 133294753) is 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide is Cc1nnc2ccc(N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)nn12.
What is the InChIKey of 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is OVKFOETUXMMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-12-19-20-16-7-8-17(21-24(12)16)23-9-3-5-14(11-23)22-27(25,26)15-6-2-4-13(18)10-15/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3.
What are the key properties of 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide?
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 133294753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).