5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

C23H19N5O6S2 — CID 54234900

IUPAC5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(N)ccc1/N=N/c1ccc(/N=N/c2ccccc2S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C23H19N5O6S2/c1-14-12-15(24)6-9-19(14)25-26-20-10-11-21(18-13-16(35(29,30)31)7-8-17(18)20)27-28-22-4-2-3-5-23(22)36(32,33)34/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34)/b26-25+,28-27+
InChIKeyQLVSCTFUHQWOMQ-PAMTUDGESA-N
MW525.57 g/mol
LogP6.05
Rot. Bonds6

About 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 54234900) has the molecular formula C23H19N5O6S2 and a molecular weight of 525.57 g/mol. Its IUPAC name is 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID54234900
Molecular FormulaC23H19N5O6S2
Molecular Weight525.57 g/mol
Exact Mass525.08
IUPAC Name5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1cc(N)ccc1/N=N/c1ccc(/N=N/c2ccccc2S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C23H19N5O6S2/c1-14-12-15(24)6-9-19(14)25-26-20-10-11-21(18-13-16(35(29,30)31)7-8-17(18)20)27-28-22-4-2-3-5-23(22)36(32,33)34/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34)/b26-25+,28-27+
InChIKeyQLVSCTFUHQWOMQ-PAMTUDGESA-N
XLogP6.05
TPSA184.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-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

3-[[4-[(4-amino-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid;sulfur trioxide
CID 158495842
sodium 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 54609884
5-amino-2-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonic acid;aniline;ethane
CID 144788097
4-[(2,4-diaminophenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 20764501
7-amino-4-hydroxy-3-[(4-methyl-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 137082020
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
2-[[4-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
CID 89345714
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
CID 170845569
CID 170845569
7-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid
CID 14618435
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137492596
5-[(2,4-diaminophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 165363379

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 54234900) is 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is Cc1cc(N)ccc1/N=N/c1ccc(/N=N/c2ccccc2S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is QLVSCTFUHQWOMQ-PAMTUDGESA-N. The full InChI is InChI=1S/C23H19N5O6S2/c1-14-12-15(24)6-9-19(14)25-26-20-10-11-21(18-13-16(35(29,30)31)7-8-17(18)20)27-28-22-4-2-3-5-23(22)36(32,33)34/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34)/b26-25+,28-27+.
What are the key properties of 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 525.57 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 54234900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).