4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide

C20H17N3O5S — CID 1320507

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O5S/c1-22(29(27,28)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(14-16)23(25)26/h2-14H,1H3,(H,21,24)
InChIKeyCUKQWMUEVQEVHB-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.67
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide (PubChem CID 1320507) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
PubChem CID1320507
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17N3O5S/c1-22(29(27,28)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(14-16)23(25)26/h2-14H,1H3,(H,21,24)
InChIKeyCUKQWMUEVQEVHB-UHFFFAOYSA-N
XLogP3.67
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)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

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)benzamide
CID 1255625
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598432
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43879853
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide (CID 1320507) is 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide is CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide?
The InChIKey is CUKQWMUEVQEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-22(29(27,28)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(14-16)23(25)26/h2-14H,1H3,(H,21,24).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide has a molecular weight of 411.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 1320507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).