4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

C16H12N2O4S — CID 10656

IUPAC4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
InChIKeyPURJGKXXWJKIQR-ISLYRVAYSA-N
MW328.35 g/mol
LogP4.21
Rot. Bonds3

About 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid (PubChem CID 10656) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
PubChem CID10656
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
InChIKeyPURJGKXXWJKIQR-ISLYRVAYSA-N
XLogP4.21
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.21
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

FD&C yellow 6
CID 17730
C.I. Acid Orange 7
CID 135442941
1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-
CID 19098
Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-
CID 6752
8-Amino-4-hydroxynaphthalene-2-sulphonic acid
CID 68106
1-Naphthalenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CID 15454
3-Hydroxy-4-(6-hydroxy-m-tolylazo)naphthalene-1-sulphonic acid
CID 2530
Sodium 3-hydroxy-4-((1-hydroxy-2-naphthyl)azo)naphthalene-1-sulphonate
CID 135465071
1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-, monosodium salt
CID 135465074
Acid red 88
CID 135465069
6-Hydroxy-5-(4-sulfophenylazo)-2-naphthalenesulfonic acid
CID 17731

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid (CID 10656) is 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The InChIKey is PURJGKXXWJKIQR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+.
What are the key properties of 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid?
4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid has a molecular weight of 328.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 10656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).