3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide

C15H14ClN5O3S — CID 90539179

IUPAC3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN5O3S/c16-12-3-1-4-13(11-12)25(23,24)18-8-10-21-15(22)6-5-14(19-21)20-9-2-7-17-20/h1-7,9,11,18H,8,10H2
InChIKeyWAOWKMGYYNSJPH-UHFFFAOYSA-N
MW379.83 g/mol
LogP1.06
Rot. Bonds6

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

3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 90539179) has the molecular formula C15H14ClN5O3S and a molecular weight of 379.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID90539179
Molecular FormulaC15H14ClN5O3S
Molecular Weight379.83 g/mol
Exact Mass379.05
IUPAC Name3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN5O3S/c16-12-3-1-4-13(11-12)25(23,24)18-8-10-21-15(22)6-5-14(19-21)20-9-2-7-17-20/h1-7,9,11,18H,8,10H2
InChIKeyWAOWKMGYYNSJPH-UHFFFAOYSA-N
XLogP1.06
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
CID 90539197
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
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
1-(3,5-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]methanesulfonamide
CID 90539221
(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 56765838
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 90539225
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 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 90539179) is 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is WAOWKMGYYNSJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S/c16-12-3-1-4-13(11-12)25(23,24)18-8-10-21-15(22)6-5-14(19-21)20-9-2-7-17-20/h1-7,9,11,18H,8,10H2.
What are the key properties of 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 379.83 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90539179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).