4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid

C17H14N2O4S — CID 154602868

IUPAC4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1
InChIInChI=1S/C17H14N2O4S/c1-11-7-8-12-10-15(24(21,22)23)16(17(20)14(12)9-11)19-18-13-5-3-2-4-6-13/h2-10,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyVELWSSQUOVEBEZ-VHEBQXMUSA-N
MW342.38 g/mol
LogP4.52
Rot. Bonds3

About 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid

4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid (PubChem CID 154602868) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
PubChem CID154602868
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1
InChIInChI=1S/C17H14N2O4S/c1-11-7-8-12-10-15(24(21,22)23)16(17(20)14(12)9-11)19-18-13-5-3-2-4-6-13/h2-10,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyVELWSSQUOVEBEZ-VHEBQXMUSA-N
XLogP4.52
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-N,3-N-bis[8-hydroxy-7-[(4-methylphenyl)diazenyl]-6-sulfonaphthalen-2-yl]benzene-1,3-dicarboximidic acid
CID 136825525
4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 177409198
7-amino-2-[(7-methyl-4-phenyldiazenylnaphthalen-1-yl)diazenyl]-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 135968686
1-N,4-N-bis[5-hydroxy-6-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-2-yl]benzene-1,4-dicarboximidic acid
CID 136825532
3-[(4-aminophenyl)diazenyl]-6-anilino-4-hydroxynaphthalene-2-sulfonic acid
CID 136917514
sodium 2,2,3,3,4,4,4-heptafluoro-N-(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)butanimidate
CID 136726103
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
4-hydroxy-7-(4-methoxyanilino)-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137002037
sodium 4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135436511
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid (CID 154602868) is 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid is Cc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The InChIKey is VELWSSQUOVEBEZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11-7-8-12-10-15(24(21,22)23)16(17(20)14(12)9-11)19-18-13-5-3-2-4-6-13/h2-10,20H,1H3,(H,21,22,23)/b19-18+.
What are the key properties of 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid?
4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid has a molecular weight of 342.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 154602868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).