1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide

C16H15F2N5O3S — CID 90539221

IUPAC1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2N5O3S/c17-13-8-12(9-14(18)10-13)11-27(25,26)20-5-7-23-16(24)3-2-15(21-23)22-6-1-4-19-22/h1-4,6,8-10,20H,5,7,11H2
InChIKeyDGCSVZQYWNRRQR-UHFFFAOYSA-N
MW395.39 g/mol
LogP0.83
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide (PubChem CID 90539221) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
PubChem CID90539221
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC Name1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H15F2N5O3S/c17-13-8-12(9-14(18)10-13)11-27(25,26)20-5-7-23-16(24)3-2-15(21-23)22-6-1-4-19-22/h1-4,6,8-10,20H,5,7,11H2
InChIKeyDGCSVZQYWNRRQR-UHFFFAOYSA-N
XLogP0.83
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
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
(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 56765838
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 71790899
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
CID 90539197
2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
CID 90538725
3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 90538879
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide (CID 90539221) is 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide is O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is DGCSVZQYWNRRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c17-13-8-12(9-14(18)10-13)11-27(25,26)20-5-7-23-16(24)3-2-15(21-23)22-6-1-4-19-22/h1-4,6,8-10,20H,5,7,11H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 395.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90539221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).