5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid

C24H20N4O7S2 — CID 2748965

IUPAC5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1/N=N/c1cc(C)c(/N=N/c2c(O)ccc3ccccc23)cc1S(=O)(=O)O
InChIInChI=1S/C24H20N4O7S2/c1-14-7-9-17(36(30,31)32)12-19(14)25-27-21-11-15(2)20(13-23(21)37(33,34)35)26-28-24-18-6-4-3-5-16(18)8-10-22(24)29/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35)/b27-25+,28-26+
InChIKeyYJFPEQCGBKUNPP-NBHCHVEOSA-N
MW540.58 g/mol
LogP6.49
Rot. Bonds6

About 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid

5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid (PubChem CID 2748965) has the molecular formula C24H20N4O7S2 and a molecular weight of 540.58 g/mol. Its IUPAC name is 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
PubChem CID2748965
Molecular FormulaC24H20N4O7S2
Molecular Weight540.58 g/mol
Exact Mass540.08
IUPAC Name5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1/N=N/c1cc(C)c(/N=N/c2c(O)ccc3ccccc23)cc1S(=O)(=O)O
InChIInChI=1S/C24H20N4O7S2/c1-14-7-9-17(36(30,31)32)12-19(14)25-27-21-11-15(2)20(13-23(21)37(33,34)35)26-28-24-18-6-4-3-5-16(18)8-10-22(24)29/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35)/b27-25+,28-26+
InChIKeyYJFPEQCGBKUNPP-NBHCHVEOSA-N
XLogP6.49
TPSA178.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic 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

4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
strontium bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid)
CID 137216273
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid)
CID 165415560
sodium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-methyl-4-sulfophenolate
CID 170846181
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135565739
5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate
CID 139595511
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135422001
CID 170843851
CID 170843851
2-chloro-5-[[4-hydroxy-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid
CID 170843268

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid (CID 2748965) is 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid is Cc1ccc(S(=O)(=O)O)cc1/N=N/c1cc(C)c(/N=N/c2c(O)ccc3ccccc23)cc1S(=O)(=O)O.
What is the InChIKey of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid?
The InChIKey is YJFPEQCGBKUNPP-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H20N4O7S2/c1-14-7-9-17(36(30,31)32)12-19(14)25-27-21-11-15(2)20(13-23(21)37(33,34)35)26-28-24-18-6-4-3-5-16(18)8-10-22(24)29/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35)/b27-25+,28-26+.
What are the key properties of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid?
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid has a molecular weight of 540.58 g/mol, XLogP of 6.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 2748965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).