5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

C16H13N3O4S — CID 135665142

IUPAC5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1cc(/N=N/c2cccc3cc(S(=O)(=O)O)ccc23)ccc1O
InChIInChI=1S/C16H13N3O4S/c17-14-9-11(4-7-16(14)20)18-19-15-3-1-2-10-8-12(24(21,22)23)5-6-13(10)15/h1-9,20H,17H2,(H,21,22,23)/b19-18+
InChIKeyGTFQABRZNFXFNF-VHEBQXMUSA-N
MW343.36 g/mol
LogP3.79
Rot. Bonds3

About 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid

5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 135665142) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID135665142
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1cc(/N=N/c2cccc3cc(S(=O)(=O)O)ccc23)ccc1O
InChIInChI=1S/C16H13N3O4S/c17-14-9-11(4-7-16(14)20)18-19-15-3-1-2-10-8-12(24(21,22)23)5-6-13(10)15/h1-9,20H,17H2,(H,21,22,23)/b19-18+
InChIKeyGTFQABRZNFXFNF-VHEBQXMUSA-N
XLogP3.79
TPSA125.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;2-oxido-5-[(6-sulfonaphthalen-1-yl)diazenyl]benzoate
CID 170847012
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
CID 170845569
CID 170845569
6-hydroxy-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 16869
CID 170839374
CID 170839374
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 4189423
8-amino-4-hydroxy-5-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 163748081
8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-5-[(5-hydroxynaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
CID 140963073
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid (CID 135665142) is 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is Nc1cc(/N=N/c2cccc3cc(S(=O)(=O)O)ccc23)ccc1O.
What is the InChIKey of 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is GTFQABRZNFXFNF-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-14-9-11(4-7-16(14)20)18-19-15-3-1-2-10-8-12(24(21,22)23)5-6-13(10)15/h1-9,20H,17H2,(H,21,22,23)/b19-18+.
What are the key properties of 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid?
5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 343.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 135665142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).