4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide

C17H18N6O3S — CID 134310592

IUPAC4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26)
InChIKeyRADYCOFMSYBVGN-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.34
Rot. Bonds3

About 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide

4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 134310592) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID134310592
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26)
InChIKeyRADYCOFMSYBVGN-UHFFFAOYSA-N
XLogP0.34
TPSA113.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199131
N-[2-[(2S)-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029357
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66608900
N-(4-(piperidin-1-ylsulfonyl)benzyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 66614375
N-(4-(phenylsulfonyl)benzyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68276866
N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 71447361
(6-Cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16301371
[3-methyl-4-[[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenyl-methanone
CID 24748871
[(3S)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone
CID 24749372
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone
CID 24749483
[3-methyl-4-[[7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24749694
[(3R)-3-methyl-4-[[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenyl-methanone
CID 24750293

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 134310592) is 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.
What is the InChIKey of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is RADYCOFMSYBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26).
What are the key properties of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 134310592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).