sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

C20H13N2NaO4S — CID 135666569

IUPACsodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2cc(/N=N/c3c(O)ccc4ccccc34)ccc12.[Na+]
InChIInChI=1S/C20H14N2O4S.Na/c23-18-11-8-13-4-1-2-6-17(13)20(18)22-21-15-9-10-16-14(12-15)5-3-7-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1/b22-21+;
InChIKeyGETWKXDZCSCODM-QUABFQRHSA-M
MW400.39 g/mol
LogP2.02
Rot. Bonds3

About sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate (PubChem CID 135666569) has the molecular formula C20H13N2NaO4S and a molecular weight of 400.39 g/mol. Its IUPAC name is sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
PubChem CID135666569
Molecular FormulaC20H13N2NaO4S
Molecular Weight400.39 g/mol
Exact Mass400.05
IUPAC Namesodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2cc(/N=N/c3c(O)ccc4ccccc34)ccc12.[Na+]
InChIInChI=1S/C20H14N2O4S.Na/c23-18-11-8-13-4-1-2-6-17(13)20(18)22-21-15-9-10-16-14(12-15)5-3-7-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1/b22-21+;
InChIKeyGETWKXDZCSCODM-QUABFQRHSA-M
XLogP2.02
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate
CID 3034835
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
barium(2+);5-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylbenzenesulfonic acid;2-methyl-5-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 170841651
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CID 135462996
CID 170843851
CID 170843851
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992

Frequently Asked Questions

What is the IUPAC name of sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate?
The IUPAC name of sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate (CID 135666569) is sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.
What is the SMILES notation for sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate?
The canonical SMILES for sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is O=S(=O)([O-])c1cccc2cc(/N=N/c3c(O)ccc4ccccc34)ccc12.[Na+].
What is the InChIKey of sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate?
The InChIKey is GETWKXDZCSCODM-QUABFQRHSA-M. The full InChI is InChI=1S/C20H14N2O4S.Na/c23-18-11-8-13-4-1-2-6-17(13)20(18)22-21-15-9-10-16-14(12-15)5-3-7-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1/b22-21+;.
What are the key properties of sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate?
sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate has a molecular weight of 400.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is sourced from PubChem (CID 135666569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).