4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

C16H13N3O5S — CID 136951636

IUPAC4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3ccccc3O)c(O)c12
InChIInChI=1S/C16H13N3O5S/c17-11-8-10(25(22,23)24)7-9-5-6-13(16(21)15(9)11)19-18-12-3-1-2-4-14(12)20/h1-8,20-21H,17H2,(H,22,23,24)/b19-18+
InChIKeyHMKNUUZOHCJNFC-VHEBQXMUSA-N
MW359.36 g/mol
LogP3.50
Rot. Bonds3

About 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 136951636) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID136951636
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3ccccc3O)c(O)c12
InChIInChI=1S/C16H13N3O5S/c17-11-8-10(25(22,23)24)7-9-5-6-13(16(21)15(9)11)19-18-12-3-1-2-4-14(12)20/h1-8,20-21H,17H2,(H,22,23,24)/b19-18+
InChIKeyHMKNUUZOHCJNFC-VHEBQXMUSA-N
XLogP3.50
TPSA145.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

tetrasodium;5-amino-4-hydroxy-3-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid;copper
CID 170839245
5-amino-4-hydroxy-6-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;ethane
CID 136622133
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
CID 137180826
CID 137180826
disodium;4,5-dihydroxy-3-[(2-hydroxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid;hydride
CID 173457469
Trypan Blue, Vetec(TM) reagent grade
CID 135442966
bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
CID 163360292
sodium 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135421783
[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]imino-oxidoazanium
CID 136642543
6-amino-5-[[4-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137194224
CID 137221822
CID 137221822
diazanium;5-[[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]benzene-1,3-dicarboxylic acid
CID 136786560

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (CID 136951636) is 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is Nc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3ccccc3O)c(O)c12.
What is the InChIKey of 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is HMKNUUZOHCJNFC-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O5S/c17-11-8-10(25(22,23)24)7-9-5-6-13(16(21)15(9)11)19-18-12-3-1-2-4-14(12)20/h1-8,20-21H,17H2,(H,22,23,24)/b19-18+.
What are the key properties of 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 359.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 136951636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).