2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide

C21H18N4O6S — CID 55439570

IUPAC2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H18N4O6S/c1-13-6-11-16(12-19(13)25(28)29)32(30,31)24-15-9-7-14(8-10-15)21(27)23-18-5-3-2-4-17(18)20(22)26/h2-12,24H,1H3,(H2,22,26)(H,23,27)
InChIKeyKDIQIGLTEYWATL-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.06
Rot. Bonds7

About 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide

2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide (PubChem CID 55439570) has the molecular formula C21H18N4O6S and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
PubChem CID55439570
Molecular FormulaC21H18N4O6S
Molecular Weight454.46 g/mol
Exact Mass454.09
IUPAC Name2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H18N4O6S/c1-13-6-11-16(12-19(13)25(28)29)32(30,31)24-15-9-7-14(8-10-15)21(27)23-18-5-3-2-4-17(18)20(22)26/h2-12,24H,1H3,(H2,22,26)(H,23,27)
InChIKeyKDIQIGLTEYWATL-UHFFFAOYSA-N
XLogP3.06
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 46412532
N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174875
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
CID 9271650
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide (CID 55439570) is 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide?
The InChIKey is KDIQIGLTEYWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O6S/c1-13-6-11-16(12-19(13)25(28)29)32(30,31)24-15-9-7-14(8-10-15)21(27)23-18-5-3-2-4-17(18)20(22)26/h2-12,24H,1H3,(H2,22,26)(H,23,27).
What are the key properties of 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide?
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide has a molecular weight of 454.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide is sourced from PubChem (CID 55439570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).