8-nitrosoquinoline-5-sulfonic acid

C9H6N2O4S — CID 121342160

IUPAC8-nitrosoquinoline-5-sulfonic acid
SMILESO=Nc1ccc(S(=O)(=O)O)c2cccnc12
InChIInChI=1S/C9H6N2O4S/c12-11-7-3-4-8(16(13,14)15)6-2-1-5-10-9(6)7/h1-5H,(H,13,14,15)
InChIKeyNEPGHFCHMUFFMG-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.88
Rot. Bonds2

About 8-nitrosoquinoline-5-sulfonic acid

8-nitrosoquinoline-5-sulfonic acid (PubChem CID 121342160) has the molecular formula C9H6N2O4S and a molecular weight of 238.22 g/mol. Its IUPAC name is 8-nitrosoquinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-nitrosoquinoline-5-sulfonic acid
PubChem CID121342160
Molecular FormulaC9H6N2O4S
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC Name8-nitrosoquinoline-5-sulfonic acid
SMILESO=Nc1ccc(S(=O)(=O)O)c2cccnc12
InChIInChI=1S/C9H6N2O4S/c12-11-7-3-4-8(16(13,14)15)6-2-1-5-10-9(6)7/h1-5H,(H,13,14,15)
InChIKeyNEPGHFCHMUFFMG-UHFFFAOYSA-N
XLogP1.88
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 173241757
CID 173241757
8-(3-hydroxypropyl)quinoline-5-sulfonic acid
CID 151309738
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
8-hydroxyquinoline-5-sulfonate
CID 5260546
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
CID 175008828
8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
CID 135974849
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
2,5-dinitrosobenzenesulfonic acid
CID 129302299
8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038
8-hydroxy-7-[[4-[(Z)-2-[4-[(8-hydroxy-5-sulfoquinolin-7-yl)methylideneamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]iminomethyl]quinoline-5-sulfonic acid
CID 135499365
8-hydroxy-7-[(E)-[[(E)-4-[(2E)-2-[(8-hydroxy-5-sulfoquinolin-7-yl)methylidene]hydrazinyl]-4-oxobut-2-enoyl]hydrazinylidene]methyl]quinoline-5-sulfonic acid
CID 135484900

Frequently Asked Questions

What is the IUPAC name of 8-nitrosoquinoline-5-sulfonic acid?
The IUPAC name of 8-nitrosoquinoline-5-sulfonic acid (CID 121342160) is 8-nitrosoquinoline-5-sulfonic acid.
What is the SMILES notation for 8-nitrosoquinoline-5-sulfonic acid?
The canonical SMILES for 8-nitrosoquinoline-5-sulfonic acid is O=Nc1ccc(S(=O)(=O)O)c2cccnc12.
What is the InChIKey of 8-nitrosoquinoline-5-sulfonic acid?
The InChIKey is NEPGHFCHMUFFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4S/c12-11-7-3-4-8(16(13,14)15)6-2-1-5-10-9(6)7/h1-5H,(H,13,14,15).
What are the key properties of 8-nitrosoquinoline-5-sulfonic acid?
8-nitrosoquinoline-5-sulfonic acid has a molecular weight of 238.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitrosoquinoline-5-sulfonic acid is sourced from PubChem (CID 121342160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).