sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

C20H14N2NaO7S2+ — CID 135436509

IUPACsodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12.[Na+]
InChIInChI=1S/C20H14N2O7S2.Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+1/b22-21+;
InChIKeyOQRFBHSXMIGVLO-QUABFQRHSA-N
MW481.46 g/mol
LogP1.61
Rot. Bonds4

About sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 135436509) has the molecular formula C20H14N2NaO7S2+ and a molecular weight of 481.46 g/mol. Its IUPAC name is sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Namesodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID135436509
Molecular FormulaC20H14N2NaO7S2+
Molecular Weight481.46 g/mol
Exact Mass481.01
IUPAC Namesodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12.[Na+]
InChIInChI=1S/C20H14N2O7S2.Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+1/b22-21+;
InChIKeyOQRFBHSXMIGVLO-QUABFQRHSA-N
XLogP1.61
TPSA153.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Amaranth
CID 13506
C.I. Acid Orange 10
CID 16015
FD&C yellow 6
CID 17730
C.I. Acid Orange 7
CID 135442941
1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-
CID 19098
Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
Barium lithol red
CID 14199
Azorubine
CID 19118
Acid Red 26
CID 19579
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-
CID 3246023
Azo fuchsine
CID 19116
C.I. Acid Red 18, trisodium salt
CID 17466

Frequently Asked Questions

What is the IUPAC name of sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (CID 135436509) is sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12.[Na+].
What is the InChIKey of sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is OQRFBHSXMIGVLO-QUABFQRHSA-N. The full InChI is InChI=1S/C20H14N2O7S2.Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+1/b22-21+;.
What are the key properties of sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 481.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 135436509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).