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

C21H15FN4O4S — CID 137226375

IUPAC4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1
InChIInChI=1S/C21H15FN4O4S/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)
InChIKeyWQBFMGOWUXIOSW-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.80
Rot. Bonds4

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

4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 137226375) has the molecular formula C21H15FN4O4S and a molecular weight of 438.44 g/mol. Its IUPAC name is 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID137226375
Molecular FormulaC21H15FN4O4S
Molecular Weight438.44 g/mol
Exact Mass438.08
IUPAC Name4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1
InChIInChI=1S/C21H15FN4O4S/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)
InChIKeyWQBFMGOWUXIOSW-UHFFFAOYSA-N
XLogP2.80
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.80
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-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226399
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226400
4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226401
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402
4-({[5-(3-Methylbutanoyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}amino)benzenesulfonamide
CID 91895635
5-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4199420
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-sulfamoylphenyl)benzamide
CID 4415331
1-(Benzenesulfonyl)-N-(4-butylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014571
1-(Benzenesulfonyl)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 24791938
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide
CID 122190169
4-[(5-Fluoro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
CID 127032697
4-[(2-Oxoindol-3-yl)amino]benzenesulfonamide
CID 135411929

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (CID 137226375) is 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc(F)cc43)cc2)cc1.
What is the InChIKey of 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is WQBFMGOWUXIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S/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-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 438.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 137226375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).