N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

C21H19N3O5S — CID 46650990

IUPACN-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C21H19N3O5S/c1-2-15-5-3-6-18(13-15)22-21(25)16-9-11-17(12-10-16)23-30(28,29)20-8-4-7-19(14-20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyFJLMGFVQADTOND-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.21
Rot. Bonds7

About N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 46650990) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID46650990
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1
InChIInChI=1S/C21H19N3O5S/c1-2-15-5-3-6-18(13-15)22-21(25)16-9-11-17(12-10-16)23-30(28,29)20-8-4-7-19(14-20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyFJLMGFVQADTOND-UHFFFAOYSA-N
XLogP4.21
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.21
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-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
deuterium monohydride;5-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-2-[4-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-2-sulfophenyl]benzenesulfonic acid
CID 161248412
4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26538703
[4-[(4-ethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 26412704
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 46650990) is N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is FJLMGFVQADTOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-2-15-5-3-6-18(13-15)22-21(25)16-9-11-17(12-10-16)23-30(28,29)20-8-4-7-19(14-20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 425.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46650990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).