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

C21H15N5O6S — CID 137226401

IUPAC4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1
InChIInChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
InChIKeyYIBCANYWXNDXHL-UHFFFAOYSA-N
MW465.45 g/mol
LogP2.57
Rot. Bonds5

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

4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 137226401) has the molecular formula C21H15N5O6S and a molecular weight of 465.45 g/mol. Its IUPAC name is 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
PubChem CID137226401
Molecular FormulaC21H15N5O6S
Molecular Weight465.45 g/mol
Exact Mass465.07
IUPAC Name4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1
InChIInChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
InChIKeyYIBCANYWXNDXHL-UHFFFAOYSA-N
XLogP2.57
TPSA173.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
4-nitro-N-(4-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60674861
2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 10022521
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 172639983
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide (CID 137226401) is 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)cc1.
What is the InChIKey of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is YIBCANYWXNDXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28).
What are the key properties of 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide?
4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 465.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 137226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).