2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide

C17H22N4O4S — CID 113039038

IUPAC2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C17H22N4O4S/c1-24-13-6-7-14(25-2)15(12-13)26(22,23)20-16-8-9-17(19-18-16)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyUXPAGUDUUIMIRE-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.28
Rot. Bonds6

About 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide

2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113039038) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113039038
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C17H22N4O4S/c1-24-13-6-7-14(25-2)15(12-13)26(22,23)20-16-8-9-17(19-18-16)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyUXPAGUDUUIMIRE-UHFFFAOYSA-N
XLogP2.28
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040299
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051800
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide (CID 113039038) is 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is UXPAGUDUUIMIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-24-13-6-7-14(25-2)15(12-13)26(22,23)20-16-8-9-17(19-18-16)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113039038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).