N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide

C13H22N4O2S — CID 113039015

IUPACN-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C13H22N4O2S/c1-2-3-11-20(18,19)16-12-7-8-13(15-14-12)17-9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,14,16)
InChIKeyZBHMSLMMFJSFEI-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.01
Rot. Bonds6

About N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide

N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide (PubChem CID 113039015) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
PubChem CID113039015
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C13H22N4O2S/c1-2-3-11-20(18,19)16-12-7-8-13(15-14-12)17-9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,14,16)
InChIKeyZBHMSLMMFJSFEI-UHFFFAOYSA-N
XLogP2.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
CID 164621593
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113040621
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide (CID 113039015) is N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide?
The InChIKey is ZBHMSLMMFJSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-3-11-20(18,19)16-12-7-8-13(15-14-12)17-9-5-4-6-10-17/h7-8H,2-6,9-11H2,1H3,(H,14,16).
What are the key properties of N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide?
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 113039015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).