5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide

C15H19ClN4O4S — CID 113039632

IUPAC5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C15H19ClN4O4S/c1-23-9-3-8-17-14-6-7-15(19-18-14)20-25(21,22)13-10-11(16)4-5-12(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKJDLTCCYVNMIFV-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.39
Rot. Bonds9

About 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide

5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113039632) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113039632
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C15H19ClN4O4S/c1-23-9-3-8-17-14-6-7-15(19-18-14)20-25(21,22)13-10-11(16)4-5-12(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKJDLTCCYVNMIFV-UHFFFAOYSA-N
XLogP2.39
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.39
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

2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113039612
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide (CID 113039632) is 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)nn1.
What is the InChIKey of 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is KJDLTCCYVNMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4S/c1-23-9-3-8-17-14-6-7-15(19-18-14)20-25(21,22)13-10-11(16)4-5-12(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 386.86 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113039632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).