5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid

C24H20N4O4S — CID 20569284

IUPAC5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESCOc1ccc(C)cc1/N=N/c1ccc(/N=N/c2ccccc2)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C24H20N4O4S/c1-16-8-13-24(32-2)23(14-16)28-27-21-11-12-22(26-25-17-6-4-3-5-7-17)20-15-18(33(29,30)31)9-10-19(20)21/h3-15H,1-2H3,(H,29,30,31)/b26-25+,28-27+
InChIKeyKUADTRRWQZKYMG-PAMTUDGESA-N
MW460.52 g/mol
LogP7.23
Rot. Bonds6

About 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid

5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid (PubChem CID 20569284) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid
PubChem CID20569284
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESCOc1ccc(C)cc1/N=N/c1ccc(/N=N/c2ccccc2)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C24H20N4O4S/c1-16-8-13-24(32-2)23(14-16)28-27-21-11-12-22(26-25-17-6-4-3-5-7-17)20-15-18(33(29,30)31)9-10-19(20)21/h3-15H,1-2H3,(H,29,30,31)/b26-25+,28-27+
InChIKeyKUADTRRWQZKYMG-PAMTUDGESA-N
XLogP7.23
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 131883437
CID 131883437
2-[[4-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
CID 89345714
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137492596
CID 170841645
CID 170841645
dilithium;5-[(4-methylphenyl)diazenyl]-8-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 59248222
4-[(4-aminophenyl)diazenyl]-3-methoxybenzenesulfonic acid
CID 88756347
4-methoxy-2-methyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89359765
tris(4-methyl-2-phenyldiazenylphenyl) benzene-1,3,5-tricarboxylate
CID 59757248
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid (CID 20569284) is 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid is COc1ccc(C)cc1/N=N/c1ccc(/N=N/c2ccccc2)c2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid?
The InChIKey is KUADTRRWQZKYMG-PAMTUDGESA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-16-8-13-24(32-2)23(14-16)28-27-21-11-12-22(26-25-17-6-4-3-5-7-17)20-15-18(33(29,30)31)9-10-19(20)21/h3-15H,1-2H3,(H,29,30,31)/b26-25+,28-27+.
What are the key properties of 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid?
5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid has a molecular weight of 460.52 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 20569284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).