3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide

C18H14Cl3N3O3S — CID 41241474

IUPAC3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl3N3O3S/c19-13-3-1-12(2-4-13)17-7-8-18(25)24(23-17)10-9-22-28(26,27)14-5-6-15(20)16(21)11-14/h1-8,11,22H,9-10H2
InChIKeyUZRIPOGAVPDART-UHFFFAOYSA-N
MW458.75 g/mol
LogP3.85
Rot. Bonds6

About 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide

3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 41241474) has the molecular formula C18H14Cl3N3O3S and a molecular weight of 458.75 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
PubChem CID41241474
Molecular FormulaC18H14Cl3N3O3S
Molecular Weight458.75 g/mol
Exact Mass456.98
IUPAC Name3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl3N3O3S/c19-13-3-1-12(2-4-13)17-7-8-18(25)24(23-17)10-9-22-28(26,27)14-5-6-15(20)16(21)11-14/h1-8,11,22H,9-10H2
InChIKeyUZRIPOGAVPDART-UHFFFAOYSA-N
XLogP3.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-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

4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 41241586
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-nitrobenzenesulfonamide
CID 41241418
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (CID 41241474) is 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is UZRIPOGAVPDART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O3S/c19-13-3-1-12(2-4-13)17-7-8-18(25)24(23-17)10-9-22-28(26,27)14-5-6-15(20)16(21)11-14/h1-8,11,22H,9-10H2.
What are the key properties of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 458.75 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 41241474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).