2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide

C15H14N4O6S — CID 10022521

IUPAC2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14N4O6S/c1-9(20)17-14-8-11(19(22)23)4-7-13(14)15(21)18-10-2-5-12(6-3-10)26(16,24)25/h2-8H,1H3,(H,17,20)(H,18,21)(H2,16,24,25)
InChIKeyAHAYMFYFBABDNL-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.45
Rot. Bonds5

About 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide

2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 10022521) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
PubChem CID10022521
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC Name2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14N4O6S/c1-9(20)17-14-8-11(19(22)23)4-7-13(14)15(21)18-10-2-5-12(6-3-10)26(16,24)25/h2-8H,1H3,(H,17,20)(H,18,21)(H2,16,24,25)
InChIKeyAHAYMFYFBABDNL-UHFFFAOYSA-N
XLogP1.45
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.45
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'}

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Related Compounds

2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
4-nitro-N-(4-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60674861
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
1-(2-fluoro-4-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 141330135
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
4-methyl-3,5-dinitro-N-(4-sulfamoylphenyl)benzamide
CID 19174927
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
N-(4-chlorophenyl)-3,5-dinitro-2-(4-sulfamoylanilino)benzamide
CID 3918311
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide (CID 10022521) is 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide is CC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is AHAYMFYFBABDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c1-9(20)17-14-8-11(19(22)23)4-7-13(14)15(21)18-10-2-5-12(6-3-10)26(16,24)25/h2-8H,1H3,(H,17,20)(H,18,21)(H2,16,24,25).
What are the key properties of 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide?
2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 378.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10022521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).