2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide

C20H15N3O6S — CID 2191770

IUPAC2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O6S/c21-19(24)13-7-1-3-9-15(13)22-20(25)14-8-2-5-11-17(14)30(28,29)18-12-6-4-10-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25)
InChIKeyNOIPTKXBNOQJDF-UHFFFAOYSA-N
MW425.42 g/mol
LogP2.78
Rot. Bonds6

About 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide

2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide (PubChem CID 2191770) has the molecular formula C20H15N3O6S and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide
PubChem CID2191770
Molecular FormulaC20H15N3O6S
Molecular Weight425.42 g/mol
Exact Mass425.07
IUPAC Name2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O6S/c21-19(24)13-7-1-3-9-15(13)22-20(25)14-8-2-5-11-17(14)30(28,29)18-12-6-4-10-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25)
InChIKeyNOIPTKXBNOQJDF-UHFFFAOYSA-N
XLogP2.78
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[2-(anilinocarbonyl)phenyl]-2-nitrobenzamide
CID 1010121
N-(2-methyl-3-nitrophenyl)-2-(methylthio)benzamide
CID 2242312
N-(2,5-dimethylphenyl)-2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzamide
CID 2944628
N-[4-(benzylsulfamoyl)phenyl]-2-nitrobenzamide
CID 1303801
N-(2-chlorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1309962
N-[4-(acetylamino)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310106
N-(4-fluorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310552
2-nitro-N-(4-sulfamoylphenyl)benzamide
CID 468894
4-methyl-3-{[(2-methylphenyl)amino]sulfonyl}-N-(3-nitrophenyl)benzamide
CID 1328122
2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 56593341
S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromopentanethioate
CID 471811
N-[4-(acetylamino)phenyl]-2-[(4-nitrophenyl)sulfonyl]benzamide
CID 1310538

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide (CID 2191770) is 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide?
The InChIKey is NOIPTKXBNOQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6S/c21-19(24)13-7-1-3-9-15(13)22-20(25)14-8-2-5-11-17(14)30(28,29)18-12-6-4-10-16(18)23(26)27/h1-12H,(H2,21,24)(H,22,25).
What are the key properties of 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide?
2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide has a molecular weight of 425.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-nitrophenyl)sulfonylbenzoyl]amino]benzamide is sourced from PubChem (CID 2191770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).