2-amino-N-(2-aminophenyl)sulfonylbenzamide

C13H13N3O3S — CID 166788214

IUPAC2-amino-N-(2-aminophenyl)sulfonylbenzamide
SMILESNc1ccccc1C(=O)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H13N3O3S/c14-10-6-2-1-5-9(10)13(17)16-20(18,19)12-8-4-3-7-11(12)15/h1-8H,14-15H2,(H,16,17)
InChIKeyOHTDXVJDSVOHAL-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-N-(2-aminophenyl)sulfonylbenzamide

2-amino-N-(2-aminophenyl)sulfonylbenzamide (PubChem CID 166788214) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-amino-N-(2-aminophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-aminophenyl)sulfonylbenzamide
PubChem CID166788214
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-amino-N-(2-aminophenyl)sulfonylbenzamide
SMILESNc1ccccc1C(=O)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H13N3O3S/c14-10-6-2-1-5-9(10)13(17)16-20(18,19)12-8-4-3-7-11(12)15/h1-8H,14-15H2,(H,16,17)
InChIKeyOHTDXVJDSVOHAL-UHFFFAOYSA-N
XLogP0.97
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminophenyl)sulfonylbenzamide?
The IUPAC name of 2-amino-N-(2-aminophenyl)sulfonylbenzamide (CID 166788214) is 2-amino-N-(2-aminophenyl)sulfonylbenzamide.
What is the SMILES notation for 2-amino-N-(2-aminophenyl)sulfonylbenzamide?
The canonical SMILES for 2-amino-N-(2-aminophenyl)sulfonylbenzamide is Nc1ccccc1C(=O)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-aminophenyl)sulfonylbenzamide?
The InChIKey is OHTDXVJDSVOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-10-6-2-1-5-9(10)13(17)16-20(18,19)12-8-4-3-7-11(12)15/h1-8H,14-15H2,(H,16,17).
What are the key properties of 2-amino-N-(2-aminophenyl)sulfonylbenzamide?
2-amino-N-(2-aminophenyl)sulfonylbenzamide has a molecular weight of 291.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminophenyl)sulfonylbenzamide is sourced from PubChem (CID 166788214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).