4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid

C17H14N2O4S — CID 22117

IUPAC4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
SMILESCc1cc(S(=O)(=O)O)ccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyFEACTMUAXQJDBH-VHEBQXMUSA-N
MW342.38 g/mol
LogP4.52
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid

4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid (PubChem CID 22117) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
PubChem CID22117
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
SMILESCc1cc(S(=O)(=O)O)ccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyFEACTMUAXQJDBH-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

4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
sodium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-methyl-4-sulfophenolate
CID 170846181
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methyl-2-[(2-methyl-5-sulfophenyl)diazenyl]benzenesulfonic acid
CID 2748965
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135422001
CID 170843851
CID 170843851
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid)
CID 165415560
strontium bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid)
CID 137216273
sodium 7-hydroxy-8-[[2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 156676683
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 4189423
CID 137235039
CID 137235039

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid (CID 22117) is 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid is Cc1cc(S(=O)(=O)O)ccc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid?
The InChIKey is FEACTMUAXQJDBH-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid?
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic 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-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid is sourced from PubChem (CID 22117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).