N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide

C16H20N4O4S — CID 113044727

IUPACN-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C16H20N4O4S/c1-2-3-4-9-17-15-7-8-16(19-18-15)20-25(21,22)12-5-6-13-14(10-12)24-11-23-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySSMAFEPVYWARRD-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.61
Rot. Bonds8

About N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide

N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113044727) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113044727
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C16H20N4O4S/c1-2-3-4-9-17-15-7-8-16(19-18-15)20-25(21,22)12-5-6-13-14(10-12)24-11-23-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySSMAFEPVYWARRD-UHFFFAOYSA-N
XLogP2.61
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide 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-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113039612
N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113038278
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
CID 113044741
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide (CID 113044727) is N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is SSMAFEPVYWARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-3-4-9-17-15-7-8-16(19-18-15)20-25(21,22)12-5-6-13-14(10-12)24-11-23-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide?
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113044727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).