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

C15H14ClN5O3S — CID 90539160

IUPAC4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5O3S/c16-12-2-4-13(5-3-12)25(23,24)18-9-11-21-15(22)7-6-14(19-21)20-10-1-8-17-20/h1-8,10,18H,9,11H2
InChIKeyPNAJTFDFBJHXLA-UHFFFAOYSA-N
MW379.83 g/mol
LogP1.06
Rot. Bonds6

About 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 90539160) has the molecular formula C15H14ClN5O3S and a molecular weight of 379.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID90539160
Molecular FormulaC15H14ClN5O3S
Molecular Weight379.83 g/mol
Exact Mass379.05
IUPAC Name4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5O3S/c16-12-2-4-13(5-3-12)25(23,24)18-9-11-21-15(22)7-6-14(19-21)20-10-1-8-17-20/h1-8,10,18H,9,11H2
InChIKeyPNAJTFDFBJHXLA-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

Analyze 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
CID 90539197
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
3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 71790899
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
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 90539160) is 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is PNAJTFDFBJHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S/c16-12-2-4-13(5-3-12)25(23,24)18-9-11-21-15(22)7-6-14(19-21)20-10-1-8-17-20/h1-8,10,18H,9,11H2.
What are the key properties of 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide?
4-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 4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90539160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).