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

C16H21FN4O2S — CID 113042623

IUPACN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C16H21FN4O2S/c1-2-3-12-24(22,23)21-16-9-8-15(19-20-16)18-11-10-13-4-6-14(17)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyOFCYJDKMXAUWIE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.81
Rot. Bonds9

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

N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113042623) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113042623
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C16H21FN4O2S/c1-2-3-12-24(22,23)21-16-9-8-15(19-20-16)18-11-10-13-4-6-14(17)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyOFCYJDKMXAUWIE-UHFFFAOYSA-N
XLogP2.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide
CID 113042814
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
2-(4-fluorophenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037819

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide (CID 113042623) is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is OFCYJDKMXAUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-2-3-12-24(22,23)21-16-9-8-15(19-20-16)18-11-10-13-4-6-14(17)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide?
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113042623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).