8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid

C15H6F5N3O4S — CID 135974849

IUPAC8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2c(F)c(F)c(F)c(F)c2F)c(O)c2ncccc12
InChIInChI=1S/C15H6F5N3O4S/c16-8-9(17)11(19)14(12(20)10(8)18)23-22-6-4-7(28(25,26)27)5-2-1-3-21-13(5)15(6)24/h1-4,24H,(H,25,26,27)/b23-22+
InChIKeyCKASPZXDDJMWLT-GHVJWSGMSA-N
MW419.29 g/mol
LogP4.30
Rot. Bonds3

About 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid

8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid (PubChem CID 135974849) has the molecular formula C15H6F5N3O4S and a molecular weight of 419.29 g/mol. Its IUPAC name is 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
PubChem CID135974849
Molecular FormulaC15H6F5N3O4S
Molecular Weight419.29 g/mol
Exact Mass419.00
IUPAC Name8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2c(F)c(F)c(F)c(F)c2F)c(O)c2ncccc12
InChIInChI=1S/C15H6F5N3O4S/c16-8-9(17)11(19)14(12(20)10(8)18)23-22-6-4-7(28(25,26)27)5-2-1-3-21-13(5)15(6)24/h1-4,24H,(H,25,26,27)/b23-22+
InChIKeyCKASPZXDDJMWLT-GHVJWSGMSA-N
XLogP4.30
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038
CID 135788850
CID 135788850
5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
CID 137142938
7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
CID 136823052
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
8-nitrosoquinoline-5-sulfonic acid
CID 121342160
CID 173241757
CID 173241757
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
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
copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
CID 118855960
7-fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
4-hydroxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)diazenyl]naphthalene-1-sulfonic acid
CID 135794649

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid?
The IUPAC name of 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid (CID 135974849) is 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid.
What is the SMILES notation for 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid?
The canonical SMILES for 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid is O=S(=O)(O)c1cc(/N=N/c2c(F)c(F)c(F)c(F)c2F)c(O)c2ncccc12.
What is the InChIKey of 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid?
The InChIKey is CKASPZXDDJMWLT-GHVJWSGMSA-N. The full InChI is InChI=1S/C15H6F5N3O4S/c16-8-9(17)11(19)14(12(20)10(8)18)23-22-6-4-7(28(25,26)27)5-2-1-3-21-13(5)15(6)24/h1-4,24H,(H,25,26,27)/b23-22+.
What are the key properties of 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid?
8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid has a molecular weight of 419.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid is sourced from PubChem (CID 135974849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).