sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate

C15H11N4NaO3S — CID 23721425

IUPACsodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate
SMILESNc1c(/N=N/c2ccccc2)cc(S(=O)(=O)[O-])c2cccnc12.[Na+]
InChIInChI=1S/C15H12N4O3S.Na/c16-14-12(19-18-10-5-2-1-3-6-10)9-13(23(20,21)22)11-7-4-8-17-15(11)14;/h1-9H,16H2,(H,20,21,22);/q;+1/p-1/b19-18+;
InChIKeyFFASBCNVSOMLAT-LTRPLHCISA-M
MW350.34 g/mol
LogP0.14
Rot. Bonds3

About sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate

sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate (PubChem CID 23721425) has the molecular formula C15H11N4NaO3S and a molecular weight of 350.34 g/mol. Its IUPAC name is sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate.

Molecular Properties

Compound Namesodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate
PubChem CID23721425
Molecular FormulaC15H11N4NaO3S
Molecular Weight350.34 g/mol
Exact Mass350.04
IUPAC Namesodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate
SMILESNc1c(/N=N/c2ccccc2)cc(S(=O)(=O)[O-])c2cccnc12.[Na+]
InChIInChI=1S/C15H12N4O3S.Na/c16-14-12(19-18-10-5-2-1-3-6-10)9-13(23(20,21)22)11-7-4-8-17-15(11)14;/h1-9H,16H2,(H,20,21,22);/q;+1/p-1/b19-18+;
InChIKeyFFASBCNVSOMLAT-LTRPLHCISA-M
XLogP0.14
TPSA120.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate?
The IUPAC name of sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate (CID 23721425) is sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate.
What is the SMILES notation for sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate?
The canonical SMILES for sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate is Nc1c(/N=N/c2ccccc2)cc(S(=O)(=O)[O-])c2cccnc12.[Na+].
What is the InChIKey of sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate?
The InChIKey is FFASBCNVSOMLAT-LTRPLHCISA-M. The full InChI is InChI=1S/C15H12N4O3S.Na/c16-14-12(19-18-10-5-2-1-3-6-10)9-13(23(20,21)22)11-7-4-8-17-15(11)14;/h1-9H,16H2,(H,20,21,22);/q;+1/p-1/b19-18+;.
What are the key properties of sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate?
sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate has a molecular weight of 350.34 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-amino-7-phenyldiazenylquinoline-5-sulfonate is sourced from PubChem (CID 23721425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).