N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide

C18H20N6O4S — CID 90539197

IUPACN-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-2-17(25)21-14-4-6-15(7-5-14)29(27,28)20-11-13-24-18(26)9-8-16(22-24)23-12-3-10-19-23/h3-10,12,20H,2,11,13H2,1H3,(H,21,25)
InChIKeyAMFLBADCPVRZGU-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.76
Rot. Bonds8

About N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide

N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide (PubChem CID 90539197) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
PubChem CID90539197
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC NameN-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-2-17(25)21-14-4-6-15(7-5-14)29(27,28)20-11-13-24-18(26)9-8-16(22-24)23-12-3-10-19-23/h3-10,12,20H,2,11,13H2,1H3,(H,21,25)
InChIKeyAMFLBADCPVRZGU-UHFFFAOYSA-N
XLogP0.76
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 71790899
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681
methyl 4-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]benzoate
CID 90517251
(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 56765838
1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
CID 90539221
N-[4-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethylsulfamoyl]phenyl]butanamide
CID 122280937
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide (CID 90539197) is N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The InChIKey is AMFLBADCPVRZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-2-17(25)21-14-4-6-15(7-5-14)29(27,28)20-11-13-24-18(26)9-8-16(22-24)23-12-3-10-19-23/h3-10,12,20H,2,11,13H2,1H3,(H,21,25).
What are the key properties of N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide has a molecular weight of 416.46 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 90539197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).