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

C22H18N4O4S — CID 137226402

IUPAC4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESCc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2
InChIInChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
InChIKeyAETBZXKNLNTEJY-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.97
Rot. Bonds4

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

4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 137226402) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID137226402
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESCc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2
InChIInChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
InChIKeyAETBZXKNLNTEJY-UHFFFAOYSA-N
XLogP2.97
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226401
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137028519
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559471
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
1-[4-[[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 155536691
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
CID 16961374
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (CID 137226402) is 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is Cc1ccc2c(c1)/C(=N/c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C(=O)N2.
What is the InChIKey of 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is AETBZXKNLNTEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28).
What are the key properties of 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 434.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 137226402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).