4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol

C20H17NO5S — CID 88730201

IUPAC4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol
SMILESNc1c(O)cc(S(=O)(=O)O)c2ccccc12.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H9NO4S.C10H8O/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5,12H,11H2,(H,13,14,15);1-7,11H
InChIKeyWDOGAHHZDMNMCG-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.92
Rot. Bonds1

About 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol

4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol (PubChem CID 88730201) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol.

Molecular Properties

Compound Name4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol
PubChem CID88730201
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol
SMILESNc1c(O)cc(S(=O)(=O)O)c2ccccc12.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H9NO4S.C10H8O/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5,12H,11H2,(H,13,14,15);1-7,11H
InChIKeyWDOGAHHZDMNMCG-UHFFFAOYSA-N
XLogP3.92
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

benzene;benzenesulfonic acid;naphthalen-2-ol
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4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
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1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
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CID 69280188
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
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4-(2-aminoethylamino)-3-hydroxynaphthalene-1-sulfonic acid
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naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
ethane;naphthalen-2-ol
CID 91107047
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
CID 159749157
CID 159749157
1-(4-hydroxy-2-sulfoanilino)naphthalene-2-sulfonic acid
CID 87973150

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol?
The IUPAC name of 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol (CID 88730201) is 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol.
What is the SMILES notation for 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol?
The canonical SMILES for 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol is Nc1c(O)cc(S(=O)(=O)O)c2ccccc12.Oc1ccc2ccccc2c1.
What is the InChIKey of 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol?
The InChIKey is WDOGAHHZDMNMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S.C10H8O/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5,12H,11H2,(H,13,14,15);1-7,11H.
What are the key properties of 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol?
4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol has a molecular weight of 383.43 g/mol, XLogP of 3.92, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol is sourced from PubChem (CID 88730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).