2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide

C17H24N4O4S — CID 113039614

IUPAC2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)nn1
InChIInChI=1S/C17H24N4O4S/c1-12-10-14(25-4)15(11-13(12)2)26(22,23)21-17-7-6-16(19-20-17)18-8-5-9-24-3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyNOKOMFNCROBYBW-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.35
Rot. Bonds9

About 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide

2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide (PubChem CID 113039614) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
PubChem CID113039614
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)nn1
InChIInChI=1S/C17H24N4O4S/c1-12-10-14(25-4)15(11-13(12)2)26(22,23)21-17-7-6-16(19-20-17)18-8-5-9-24-3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyNOKOMFNCROBYBW-UHFFFAOYSA-N
XLogP2.35
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113039612
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
CID 113039467
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide (CID 113039614) is 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)nn1.
What is the InChIKey of 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is NOKOMFNCROBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12-10-14(25-4)15(11-13(12)2)26(22,23)21-17-7-6-16(19-20-17)18-8-5-9-24-3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113039614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).