8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid

C9H7NO5S — CID 54033600

IUPAC8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c2c1ccc[n+]2[O-]
InChIInChI=1S/C9H7NO5S/c11-7-3-4-8(16(13,14)15)6-2-1-5-10(12)9(6)7/h1-5,11H,(H,13,14,15)
InChIKeyLHISGDURQQBJCB-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.43
Rot. Bonds1

About 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid

8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid (PubChem CID 54033600) has the molecular formula C9H7NO5S and a molecular weight of 241.22 g/mol. Its IUPAC name is 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid
PubChem CID54033600
Molecular FormulaC9H7NO5S
Molecular Weight241.22 g/mol
Exact Mass241.00
IUPAC Name8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c2c1ccc[n+]2[O-]
InChIInChI=1S/C9H7NO5S/c11-7-3-4-8(16(13,14)15)6-2-1-5-10(12)9(6)7/h1-5,11H,(H,13,14,15)
InChIKeyLHISGDURQQBJCB-UHFFFAOYSA-N
XLogP0.43
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxynaphthalene-1-sulfonic acid
CID 6791
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
4-aminonaphthalene-1-sulfonic acid
CID 6790
CID 173241757
CID 173241757
2-hydroxynaphthalene-1,5-disulfonic acid
CID 19366260
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
CID 137242223
CID 137242223
4-hydroxynaphthalene-1-sulfonic acid;phenylmethanamine
CID 173118162
5-sulfonaphthalene-1-sulfonate
CID 3517121
8-hydroxypyrene-1-sulfonic acid
CID 87461805
(4-sulfonaphthalen-1-yl)azanium
CID 148683072

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid?
The IUPAC name of 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid (CID 54033600) is 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid.
What is the SMILES notation for 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid?
The canonical SMILES for 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid is O=S(=O)(O)c1ccc(O)c2c1ccc[n+]2[O-].
What is the InChIKey of 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid?
The InChIKey is LHISGDURQQBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S/c11-7-3-4-8(16(13,14)15)6-2-1-5-10(12)9(6)7/h1-5,11H,(H,13,14,15).
What are the key properties of 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid?
8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid has a molecular weight of 241.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-oxidoquinolin-1-ium-5-sulfonic acid is sourced from PubChem (CID 54033600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).