3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride

C10H9ClN2O4S — CID 88727138

IUPAC3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride
SMILESCl.[N-]=[N+]=C1C=c2ccccc2=C(O)C1S(=O)(=O)O
InChIInChI=1S/C10H8N2O4S.ClH/c11-12-8-5-6-3-1-2-4-7(6)9(13)10(8)17(14,15)16;/h1-5,10,13H,(H,14,15,16);1H
InChIKeyLNKNNKSOFYYWAK-UHFFFAOYSA-N
MW288.71 g/mol
LogP-0.50
Rot. Bonds1

About 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride

3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride (PubChem CID 88727138) has the molecular formula C10H9ClN2O4S and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride
PubChem CID88727138
Molecular FormulaC10H9ClN2O4S
Molecular Weight288.71 g/mol
Exact Mass288.00
IUPAC Name3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride
SMILESCl.[N-]=[N+]=C1C=c2ccccc2=C(O)C1S(=O)(=O)O
InChIInChI=1S/C10H8N2O4S.ClH/c11-12-8-5-6-3-1-2-4-7(6)9(13)10(8)17(14,15)16;/h1-5,10,13H,(H,14,15,16);1H
InChIKeyLNKNNKSOFYYWAK-UHFFFAOYSA-N
XLogP-0.50
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 172794141
CID 172794141
(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid
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CID 173025831
CID 173025831
calcium 2-phenylethene-1,1-disulfonate
CID 126569177
2-oxo-3H-1-benzofuran-3-sulfonic acid
CID 139748470
3-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)prop-2-enoyl chloride
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CID 162093593
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CID 69493753

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride?
The IUPAC name of 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride (CID 88727138) is 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride.
What is the SMILES notation for 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride?
The canonical SMILES for 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride is Cl.[N-]=[N+]=C1C=c2ccccc2=C(O)C1S(=O)(=O)O.
What is the InChIKey of 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride?
The InChIKey is LNKNNKSOFYYWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S.ClH/c11-12-8-5-6-3-1-2-4-7(6)9(13)10(8)17(14,15)16;/h1-5,10,13H,(H,14,15,16);1H.
What are the key properties of 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride?
3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride has a molecular weight of 288.71 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-hydroxy-2H-naphthalene-2-sulfonic acid;hydrochloride is sourced from PubChem (CID 88727138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).