2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide

C23H20Cl2N4O6S2 — CID 4873326

IUPAC2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(=NNc2cccc(Cl)c2Cl)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20Cl2N4O6S2/c1-14-6-10-16(11-7-14)36(32,33)28-22(30)21(27-26-19-5-3-4-18(24)20(19)25)23(31)29-37(34,35)17-12-8-15(2)9-13-17/h3-13,26H,1-2H3,(H,28,30)(H,29,31)
InChIKeyPJZJMNZTDOSIAE-UHFFFAOYSA-N
MW583.48 g/mol
LogP3.39
Rot. Bonds8

About 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide

2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide (PubChem CID 4873326) has the molecular formula C23H20Cl2N4O6S2 and a molecular weight of 583.48 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
PubChem CID4873326
Molecular FormulaC23H20Cl2N4O6S2
Molecular Weight583.48 g/mol
Exact Mass582.02
IUPAC Name2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(=NNc2cccc(Cl)c2Cl)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20Cl2N4O6S2/c1-14-6-10-16(11-7-14)36(32,33)28-22(30)21(27-26-19-5-3-4-18(24)20(19)25)23(31)29-37(34,35)17-12-8-15(2)9-13-17/h3-13,26H,1-2H3,(H,28,30)(H,29,31)
InChIKeyPJZJMNZTDOSIAE-UHFFFAOYSA-N
XLogP3.39
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.48
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide 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

2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873322
(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
CID 165353514
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfonylthiourea
CID 139645074
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 138617489
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
[(E)-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]amino] N-(4-methylphenyl)sulfonylcarbamate
CID 19742783
(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
CID 6223201
1-[2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 57391244

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide (CID 4873326) is 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide is Cc1ccc(S(=O)(=O)NC(=O)C(=NNc2cccc(Cl)c2Cl)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The InChIKey is PJZJMNZTDOSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O6S2/c1-14-6-10-16(11-7-14)36(32,33)28-22(30)21(27-26-19-5-3-4-18(24)20(19)25)23(31)29-37(34,35)17-12-8-15(2)9-13-17/h3-13,26H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide has a molecular weight of 583.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide is sourced from PubChem (CID 4873326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).