2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide

C18H14ClN3O4S — CID 30849535

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)
InChIKeyJDSPBXOVLJYVQC-UHFFFAOYSA-N
MW403.85 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 30849535) has the molecular formula C18H14ClN3O4S and a molecular weight of 403.85 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID30849535
Molecular FormulaC18H14ClN3O4S
Molecular Weight403.85 g/mol
Exact Mass403.04
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)
InChIKeyJDSPBXOVLJYVQC-UHFFFAOYSA-N
XLogP2.37
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide 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

N-(2,5-difluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849543
N-(2-chloro-4-fluorophenyl)-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668556
2-[3-(Benzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2,4-difluorophenyl)acetamide
CID 30849537
N-(2-fluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849538
2-[3-(Benzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2-chloro-4-fluorophenyl)acetamide
CID 53004520
N-(4-chlorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849536
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 9409716
2-[3-(Benzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 49668517
2-(3-((4-chlorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-(4-fluoro-3-methylphenyl)acetamide
CID 49668522
2-[3-(4-Chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(4-fluorophenyl)acetamide
CID 49668524
2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-phenylacetamide
CID 49668541
N-(2-chlorophenyl)-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668543

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 30849535) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JDSPBXOVLJYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 403.85 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 30849535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).