sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate

C16H11N2NaO7S2 — CID 136682992

IUPACsodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1.[Na+]
InChIInChI=1S/C16H12N2O7S2.Na/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+1/p-1/b18-17+;
InChIKeyFTYXFRXWXVINPV-ZAGWXBKKSA-M
MW430.40 g/mol
LogP0.12
Rot. Bonds4

About sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate

sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate (PubChem CID 136682992) has the molecular formula C16H11N2NaO7S2 and a molecular weight of 430.40 g/mol. Its IUPAC name is sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
PubChem CID136682992
Molecular FormulaC16H11N2NaO7S2
Molecular Weight430.40 g/mol
Exact Mass429.99
IUPAC Namesodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1.[Na+]
InChIInChI=1S/C16H12N2O7S2.Na/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+1/p-1/b18-17+;
InChIKeyFTYXFRXWXVINPV-ZAGWXBKKSA-M
XLogP0.12
TPSA156.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
disodium;5-hydroxy-7-sulfo-6-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 136882093
CID 137235039
CID 137235039
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135421994
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975
sodium 5-[(2-carboxyphenyl)diazenyl]-6-hydroxy-7-sulfonaphthalene-2-sulfonate
CID 136502137
sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135482633
CID 170850429
CID 170850429
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170

Frequently Asked Questions

What is the IUPAC name of sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate?
The IUPAC name of sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate (CID 136682992) is sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate.
What is the SMILES notation for sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate?
The canonical SMILES for sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3S(=O)(=O)O)c(O)ccc2c1.[Na+].
What is the InChIKey of sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate?
The InChIKey is FTYXFRXWXVINPV-ZAGWXBKKSA-M. The full InChI is InChI=1S/C16H12N2O7S2.Na/c19-14-8-5-10-9-11(26(20,21)22)6-7-12(10)16(14)18-17-13-3-1-2-4-15(13)27(23,24)25;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+1/p-1/b18-17+;.
What are the key properties of sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate?
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate has a molecular weight of 430.40 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate is sourced from PubChem (CID 136682992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).