(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid

C10H8N2O4S — CID 92977207

IUPAC(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid
SMILES[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)[C@@H]1O
InChIInChI=1S/C10H8N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,10,13H,(H,14,15,16)/t10-/m0/s1
InChIKeyVCZWVTLNUKKQER-JTQLQIEISA-N
MW252.25 g/mol
LogP0.66
Rot. Bonds1

About (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid

(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid (PubChem CID 92977207) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid
PubChem CID92977207
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid
SMILES[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)[C@@H]1O
InChIInChI=1S/C10H8N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,10,13H,(H,14,15,16)/t10-/m0/s1
InChIKeyVCZWVTLNUKKQER-JTQLQIEISA-N
XLogP0.66
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.66
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

(3R)-3-hydroxy-2-oxo-1,3-dihydroindole-7-sulfonic acid
CID 95735368
6-azido-5-oxo-6H-naphthalene-1-sulfonic acid
CID 101039421
9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
CID 141007243
4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid
CID 160579096
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
(1S,2S)-2-methyl-5-methylsulfonyl-1,2-dihydronaphthalen-1-ol
CID 58325699
(6E)-6-diazo-5-oxonaphthalene-1-sulfonic acid;phenyl-(2,3,4-trihydroxyphenyl)methanone
CID 165340088
biphenylene-1,5-disulfonic acid
CID 165163925
2-cyclohexylbenzenesulfonic acid
CID 14574322
6-diazo-5-oxonaphthalene-1-sulfonic acid;4-[[2-hydroxy-5-methyl-3-[(2,3,4-trihydroxyphenyl)methyl]phenyl]methyl]benzene-1,2,3-triol
CID 170852716
2-amino-1-hydroxy-2H-naphthalene-1,5-disulfonic acid
CID 87878168

Frequently Asked Questions

What is the IUPAC name of (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid?
The IUPAC name of (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid (CID 92977207) is (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid.
What is the SMILES notation for (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid?
The canonical SMILES for (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid is [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)[C@@H]1O.
What is the InChIKey of (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid?
The InChIKey is VCZWVTLNUKKQER-JTQLQIEISA-N. The full InChI is InChI=1S/C10H8N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,10,13H,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid?
(5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid has a molecular weight of 252.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-diazo-5-hydroxy-5H-naphthalene-1-sulfonic acid is sourced from PubChem (CID 92977207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).