sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate

C16H10N2NaO7S2- — CID 169408459

IUPACsodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1.[Na+]
InChIInChI=1S/C16H12N2O7S2.Na/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;+1/p-2/b18-17+;
InChIKeyCIGSMIXKOZNUKZ-ZAGWXBKKSA-L
MW429.39 g/mol
LogP-0.23
Rot. Bonds4

About sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate

sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate (PubChem CID 169408459) has the molecular formula C16H10N2NaO7S2- and a molecular weight of 429.39 g/mol. Its IUPAC name is sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namesodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
PubChem CID169408459
Molecular FormulaC16H10N2NaO7S2-
Molecular Weight429.39 g/mol
Exact Mass428.98
IUPAC Namesodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(/N=N/c3ccccc3)c(O)ccc2c1.[Na+]
InChIInChI=1S/C16H12N2O7S2.Na/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;+1/p-2/b18-17+;
InChIKeyCIGSMIXKOZNUKZ-ZAGWXBKKSA-L
XLogP-0.23
TPSA159.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 5-0.23
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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Related Compounds

7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen
CID 161131700
carbanylium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate
CID 160526202
pentaazanium;pentadecasodium;tetrakis(7-hydroxy-8-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonatophenyl]diazenyl]naphthalene-1,3-disulfonate)
CID 136633648
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CID 135462996
disodium;8-[[4-[4-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate
CID 136632993
disodium;4-hydroxy-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate
CID 170839401
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
CID 2753299
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
7-hydroxy-3-sulfo-8-[[4-[[4-[2-(8-sulfo-6-sulfonatonaphthalen-2-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 158730491
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
CID 170850429
CID 170850429
CID 137235002
CID 137235002

Frequently Asked Questions

What is the IUPAC name of sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The IUPAC name of sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate (CID 169408459) is sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate.
What is the SMILES notation for sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The canonical SMILES for sodium 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+].
What is the InChIKey of sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
The InChIKey is CIGSMIXKOZNUKZ-ZAGWXBKKSA-L. The full InChI is InChI=1S/C16H12N2O7S2.Na/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;+1/p-2/b18-17+;.
What are the key properties of sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate?
sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate has a molecular weight of 429.39 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate is sourced from PubChem (CID 169408459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).