4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

C19H25Cl2N5O3S — CID 55681994

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCN1CCN(CCCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1
InChIInChI=1S/C19H25Cl2N5O3S/c1-24-10-12-25(13-11-24)9-3-2-8-23-30(28,29)16-6-4-15(5-7-16)26-19(27)18(21)17(20)14-22-26/h4-7,14,23H,2-3,8-13H2,1H3
InChIKeyWDPCWZRZXGQXHP-UHFFFAOYSA-N
MW474.41 g/mol
LogP1.85
Rot. Bonds8

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (PubChem CID 55681994) has the molecular formula C19H25Cl2N5O3S and a molecular weight of 474.41 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
PubChem CID55681994
Molecular FormulaC19H25Cl2N5O3S
Molecular Weight474.41 g/mol
Exact Mass473.11
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCN1CCN(CCCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1
InChIInChI=1S/C19H25Cl2N5O3S/c1-24-10-12-25(13-11-24)9-3-2-8-23-30(28,29)16-6-4-15(5-7-16)26-19(27)18(21)17(20)14-22-26/h4-7,14,23H,2-3,8-13H2,1H3
InChIKeyWDPCWZRZXGQXHP-UHFFFAOYSA-N
XLogP1.85
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide 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

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
ethyl 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]butanoate
CID 43053510
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 46556556
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 99812285
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (CID 55681994) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is CN1CCN(CCCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The InChIKey is WDPCWZRZXGQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O3S/c1-24-10-12-25(13-11-24)9-3-2-8-23-30(28,29)16-6-4-15(5-7-16)26-19(27)18(21)17(20)14-22-26/h4-7,14,23H,2-3,8-13H2,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide has a molecular weight of 474.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 55681994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).