N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide

C17H24N4O3S — CID 113042814

IUPACN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H24N4O3S/c1-3-4-13-25(22,23)21-17-10-9-16(19-20-17)18-12-11-14-5-7-15(24-2)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVUNSWLHOTRIGAS-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.68
Rot. Bonds10

About N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide

N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113042814) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113042814
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H24N4O3S/c1-3-4-13-25(22,23)21-17-10-9-16(19-20-17)18-12-11-14-5-7-15(24-2)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVUNSWLHOTRIGAS-UHFFFAOYSA-N
XLogP2.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042623
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide (CID 113042814) is N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)cc2)nn1.
What is the InChIKey of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is VUNSWLHOTRIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-4-13-25(22,23)21-17-10-9-16(19-20-17)18-12-11-14-5-7-15(24-2)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113042814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).