5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide

C23H26N4O2S — CID 27260550

IUPAC5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)cc1S(N)(=O)=O
InChIInChI=1S/C23H26N4O2S/c1-17-7-8-20(16-22(17)30(24,28)29)21-9-10-23(26-25-21)27-13-11-19(12-14-27)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H2,24,28,29)
InChIKeyQMOQGUKIESGCEI-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.56
Rot. Bonds5

About 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide

5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 27260550) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID27260550
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)cc1S(N)(=O)=O
InChIInChI=1S/C23H26N4O2S/c1-17-7-8-20(16-22(17)30(24,28)29)21-9-10-23(26-25-21)27-13-11-19(12-14-27)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H2,24,28,29)
InChIKeyQMOQGUKIESGCEI-UHFFFAOYSA-N
XLogP3.56
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 27262297
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 71793990
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
2-methyl-5-[6-[[(1S,2S)-2-methylcyclohexyl]amino]pyridazin-3-yl]benzenesulfonamide
CID 27262183
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 27260550) is 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide is Cc1ccc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is QMOQGUKIESGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-7-8-20(16-22(17)30(24,28)29)21-9-10-23(26-25-21)27-13-11-19(12-14-27)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H2,24,28,29).
What are the key properties of 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide?
5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 27260550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).