(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide

C17H17N5O3S — CID 56765838

IUPAC(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17N5O3S/c23-17-8-7-16(21-12-4-10-18-21)20-22(17)13-11-19-26(24,25)14-9-15-5-2-1-3-6-15/h1-10,12,14,19H,11,13H2/b14-9+
InChIKeyXAQSDJMDBQVVPL-NTEUORMPSA-N
MW371.42 g/mol
LogP1.02
Rot. Bonds7

About (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide

(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide (PubChem CID 56765838) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
PubChem CID56765838
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17N5O3S/c23-17-8-7-16(21-12-4-10-18-21)20-22(17)13-11-19-26(24,25)14-9-15-5-2-1-3-6-15/h1-10,12,14,19H,11,13H2/b14-9+
InChIKeyXAQSDJMDBQVVPL-NTEUORMPSA-N
XLogP1.02
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 71790920
4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
CID 90539221
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 71790899
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
CID 90539197
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide (CID 56765838) is (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide is O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The InChIKey is XAQSDJMDBQVVPL-NTEUORMPSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17-8-7-16(21-12-4-10-18-21)20-22(17)13-11-19-26(24,25)14-9-15-5-2-1-3-6-15/h1-10,12,14,19H,11,13H2/b14-9+.
What are the key properties of (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 56765838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).