5-amino-2-benzamidobenzenesulfonic acid

C13H12N2O4S — CID 19865734

IUPAC5-amino-2-benzamidobenzenesulfonic acid
SMILESNc1ccc(NC(=O)c2ccccc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c14-10-6-7-11(12(8-10)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19)
InChIKeyWVJSNFJOLPUCAN-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-2-benzamidobenzenesulfonic acid

5-amino-2-benzamidobenzenesulfonic acid (PubChem CID 19865734) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-amino-2-benzamidobenzenesulfonic acid.

Molecular Properties

Compound Name5-amino-2-benzamidobenzenesulfonic acid
PubChem CID19865734
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name5-amino-2-benzamidobenzenesulfonic acid
SMILESNc1ccc(NC(=O)c2ccccc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c14-10-6-7-11(12(8-10)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19)
InChIKeyWVJSNFJOLPUCAN-UHFFFAOYSA-N
XLogP1.77
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid
CID 19734786
N-(5-amino-2-bromophenyl)benzamide
CID 833748
4-[(4-aminobenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 23348060
5-amino-2-(2-methylanilino)benzenesulfonic acid
CID 53423153
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
7-benzamido-2,1,3-benzoxadiazole-4-sulfonic acid
CID 10567625
3-[(5-amino-2-sulfophenyl)diazenyl]-5-benzamido-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135753287
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 3018000
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
CID 23348122
4-(5-amino-2-benzamidophenoxy)butanoic acid
CID 59419070
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-benzamidobenzenesulfonic acid?
The IUPAC name of 5-amino-2-benzamidobenzenesulfonic acid (CID 19865734) is 5-amino-2-benzamidobenzenesulfonic acid.
What is the SMILES notation for 5-amino-2-benzamidobenzenesulfonic acid?
The canonical SMILES for 5-amino-2-benzamidobenzenesulfonic acid is Nc1ccc(NC(=O)c2ccccc2)c(S(=O)(=O)O)c1.
What is the InChIKey of 5-amino-2-benzamidobenzenesulfonic acid?
The InChIKey is WVJSNFJOLPUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-10-6-7-11(12(8-10)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19).
What are the key properties of 5-amino-2-benzamidobenzenesulfonic acid?
5-amino-2-benzamidobenzenesulfonic acid has a molecular weight of 292.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-benzamidobenzenesulfonic acid is sourced from PubChem (CID 19865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).