4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

C14H11N3O3S — CID 135411929

IUPAC4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyFXNKQWYBLXKGFU-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.41
Rot. Bonds2

About 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (PubChem CID 135411929) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
PubChem CID135411929
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyFXNKQWYBLXKGFU-UHFFFAOYSA-N
XLogP1.41
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-oxo-1H-indol-3-ylidene)amino]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

2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
Sulfonamide deriv., 7d
CID 44520901
4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-amino}benzenesulfonamide
CID 91144325
N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
CID 91895650
4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226375
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (CID 135411929) is 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is FXNKQWYBLXKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H2,15,19,20)(H,16,17,18).
What are the key properties of 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 135411929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).