3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide

C36H30N4O3S — CID 6902807

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)c2)c(C)c1
InChIInChI=1S/C36H30N4O3S/c1-25-20-21-33(26(2)22-25)39-44(42,43)30-17-11-14-28(23-30)36(41)38-37-24-32-31-18-9-10-19-34(31)40(29-15-7-4-8-16-29)35(32)27-12-5-3-6-13-27/h3-24,39H,1-2H3,(H,38,41)/b37-24+
InChIKeyDAWLMXQMZRGUCD-HWLOXFRGSA-N
MW598.73 g/mol
LogP7.48
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide (PubChem CID 6902807) has the molecular formula C36H30N4O3S and a molecular weight of 598.73 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
PubChem CID6902807
Molecular FormulaC36H30N4O3S
Molecular Weight598.73 g/mol
Exact Mass598.20
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)c2)c(C)c1
InChIInChI=1S/C36H30N4O3S/c1-25-20-21-33(26(2)22-25)39-44(42,43)30-17-11-14-28(23-30)36(41)38-37-24-32-31-18-9-10-19-34(31)40(29-15-7-4-8-16-29)35(32)27-12-5-3-6-13-27/h3-24,39H,1-2H3,(H,38,41)/b37-24+
InChIKeyDAWLMXQMZRGUCD-HWLOXFRGSA-N
XLogP7.48
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.73
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 3652547
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 42991202
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-[(Z)-[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 137264833
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6250185
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902143
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
3-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]benzamide
CID 3256527

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide (CID 6902807) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide?
The InChIKey is DAWLMXQMZRGUCD-HWLOXFRGSA-N. The full InChI is InChI=1S/C36H30N4O3S/c1-25-20-21-33(26(2)22-25)39-44(42,43)30-17-11-14-28(23-30)36(41)38-37-24-32-31-18-9-10-19-34(31)40(29-15-7-4-8-16-29)35(32)27-12-5-3-6-13-27/h3-24,39H,1-2H3,(H,38,41)/b37-24+.
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide has a molecular weight of 598.73 g/mol, XLogP of 7.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 6902807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).