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

C13H13N3O3S — CID 166788216

IUPAC4-amino-N-(2-aminophenyl)sulfonylbenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H13N3O3S/c14-10-7-5-9(6-8-10)13(17)16-20(18,19)12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)
InChIKeyHMBJNEPRCBYOEC-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-N-(2-aminophenyl)sulfonylbenzamide

4-amino-N-(2-aminophenyl)sulfonylbenzamide (PubChem CID 166788216) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-amino-N-(2-aminophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-aminophenyl)sulfonylbenzamide
PubChem CID166788216
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-amino-N-(2-aminophenyl)sulfonylbenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H13N3O3S/c14-10-7-5-9(6-8-10)13(17)16-20(18,19)12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)
InChIKeyHMBJNEPRCBYOEC-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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Related Compounds

2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
4-amino-N-pyridin-2-ylsulfonylbenzamide
CID 153322012
1-(2-aminophenyl)sulfonyl-3-methylurea
CID 116645969
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 89187439
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
CID 150889345
2-[(2-aminophenyl)sulfonylamino]-N-methylbenzamide
CID 43576281
3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride
CID 175320389

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminophenyl)sulfonylbenzamide?
The IUPAC name of 4-amino-N-(2-aminophenyl)sulfonylbenzamide (CID 166788216) is 4-amino-N-(2-aminophenyl)sulfonylbenzamide.
What is the SMILES notation for 4-amino-N-(2-aminophenyl)sulfonylbenzamide?
The canonical SMILES for 4-amino-N-(2-aminophenyl)sulfonylbenzamide is Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2N)cc1.
What is the InChIKey of 4-amino-N-(2-aminophenyl)sulfonylbenzamide?
The InChIKey is HMBJNEPRCBYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-10-7-5-9(6-8-10)13(17)16-20(18,19)12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17).
What are the key properties of 4-amino-N-(2-aminophenyl)sulfonylbenzamide?
4-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 4-amino-N-(2-aminophenyl)sulfonylbenzamide is sourced from PubChem (CID 166788216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).