disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate

C16H10N2Na2O7S2 — CID 16015

IUPACdisodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;
InChIKeyHSXUHWZMNJHFRV-QIKYXUGXSA-L
MW452.38 g/mol
LogP-3.22
Rot. Bonds4

About disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate

disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate (PubChem CID 16015) has the molecular formula C16H10N2Na2O7S2 and a molecular weight of 452.38 g/mol. Its IUPAC name is disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedisodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
PubChem CID16015
Molecular FormulaC16H10N2Na2O7S2
Molecular Weight452.38 g/mol
Exact Mass451.97
IUPAC Namedisodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1.[Na+].[Na+]
InChIInChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;
InChIKeyHSXUHWZMNJHFRV-QIKYXUGXSA-L
XLogP-3.22
TPSA159.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The IUPAC name of disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate (CID 16015) is disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate.
What is the SMILES notation for disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The canonical SMILES for disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate is O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1.[Na+].[Na+].
What is the InChIKey of disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The InChIKey is HSXUHWZMNJHFRV-QIKYXUGXSA-L. The full InChI is InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;.
What are the key properties of disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate has a molecular weight of 452.38 g/mol, XLogP of -3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate is sourced from PubChem (CID 16015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).