4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide

C21H15ClN4O4S — CID 137226399

IUPAC4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
InChIKeyZALMFWQHIQUZOS-UHFFFAOYSA-N
MW454.90 g/mol
LogP3.31
Rot. Bonds4

About 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide

4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 137226399) has the molecular formula C21H15ClN4O4S and a molecular weight of 454.90 g/mol. Its IUPAC name is 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID137226399
Molecular FormulaC21H15ClN4O4S
Molecular Weight454.90 g/mol
Exact Mass454.05
IUPAC Name4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
InChIKeyZALMFWQHIQUZOS-UHFFFAOYSA-N
XLogP3.31
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 53.31
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-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (CID 137226399) is 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1.
What is the InChIKey of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is ZALMFWQHIQUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28).
What are the key properties of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 454.90 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 137226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).