4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide

C25H21N3O4S — CID 108780319

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C25H21N3O4S/c29-24-21-6-2-3-7-22(21)25(30)28(24)17-18-9-11-20(12-10-18)33(31,32)26-14-16-27-15-13-19-5-1-4-8-23(19)27/h1-13,15,26H,14,16-17H2
InChIKeyQGVCJCJGFPEVOR-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.42
Rot. Bonds7

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide (PubChem CID 108780319) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
PubChem CID108780319
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C25H21N3O4S/c29-24-21-6-2-3-7-22(21)25(30)28(24)17-18-9-11-20(12-10-18)33(31,32)26-14-16-27-15-13-19-5-1-4-8-23(19)27/h1-13,15,26H,14,16-17H2
InChIKeyQGVCJCJGFPEVOR-UHFFFAOYSA-N
XLogP3.42
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)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-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
2-[[4-[4-(indol-1-ylmethyl)phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959456
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
CID 47013165
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 113082483
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
CID 113083500
1-[2-(dimethylsulfamoylamino)ethyl]indole
CID 110732667
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione
CID 139959370
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide (CID 108780319) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide is O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCCn2ccc3ccccc32)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide?
The InChIKey is QGVCJCJGFPEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c29-24-21-6-2-3-7-22(21)25(30)28(24)17-18-9-11-20(12-10-18)33(31,32)26-14-16-27-15-13-19-5-1-4-8-23(19)27/h1-13,15,26H,14,16-17H2.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide has a molecular weight of 459.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 108780319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).