N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

C21H19N3O5S — CID 26538703

IUPACN-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1
InChIInChI=1S/C21H19N3O5S/c1-14-6-11-20(15(2)12-14)22-21(25)16-7-9-17(10-8-16)23-30(28,29)19-5-3-4-18(13-19)24(26)27/h3-13,23H,1-2H3,(H,22,25)
InChIKeyWYCBIWZVNLLYNF-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.26
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26538703) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID26538703
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1
InChIInChI=1S/C21H19N3O5S/c1-14-6-11-20(15(2)12-14)22-21(25)16-7-9-17(10-8-16)23-30(28,29)19-5-3-4-18(13-19)24(26)27/h3-13,23H,1-2H3,(H,22,25)
InChIKeyWYCBIWZVNLLYNF-UHFFFAOYSA-N
XLogP4.26
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27886844
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
[4-[(3-nitrophenyl)sulfonylamino]phenyl] 4-methylbenzoate
CID 2888384
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
CID 4546523
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-nitrophenyl)benzamide
CID 126416054
N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 26538703) is N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is WYCBIWZVNLLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-14-6-11-20(15(2)12-14)22-21(25)16-7-9-17(10-8-16)23-30(28,29)19-5-3-4-18(13-19)24(26)27/h3-13,23H,1-2H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 425.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26538703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).