4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide

C21H16N4O4S — CID 137226374

IUPAC4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
InChIKeyOAXQSXKAAXUOFG-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.66
Rot. Bonds4

About 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide

4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 137226374) has the molecular formula C21H16N4O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID137226374
Molecular FormulaC21H16N4O4S
Molecular Weight420.45 g/mol
Exact Mass420.09
IUPAC Name4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
InChIKeyOAXQSXKAAXUOFG-UHFFFAOYSA-N
XLogP2.66
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (CID 137226374) is 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is OAXQSXKAAXUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27).
What are the key properties of 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 420.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 137226374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).