sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate

C16H12N3NaO4S — CID 135482633

IUPACsodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1.[Na+]
InChIInChI=1S/C16H13N3O4S.Na/c17-11-2-4-12(5-3-11)18-19-16-14-7-6-13(24(21,22)23)9-10(14)1-8-15(16)20;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;
InChIKeyLBEPRHXZCMRUBW-LTRPLHCISA-M
MW365.35 g/mol
LogP0.45
Rot. Bonds3

About sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate

sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate (PubChem CID 135482633) has the molecular formula C16H12N3NaO4S and a molecular weight of 365.35 g/mol. Its IUPAC name is sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
PubChem CID135482633
Molecular FormulaC16H12N3NaO4S
Molecular Weight365.35 g/mol
Exact Mass365.04
IUPAC Namesodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1.[Na+]
InChIInChI=1S/C16H13N3O4S.Na/c17-11-2-4-12(5-3-11)18-19-16-14-7-6-13(24(21,22)23)9-10(14)1-8-15(16)20;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;
InChIKeyLBEPRHXZCMRUBW-LTRPLHCISA-M
XLogP0.45
TPSA128.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681
SODIUM 5-(4-CL-PH-AZO)-6-HO-NAPHTHALENE-2-SULFONATE(ACID ORANGE 31 C.I. 15995)
CID 137228287
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
CID 137221884
CID 137221884
3-[(2-hydroxy-6-methylnaphthalen-1-yl)diazenyl]benzenesulfonate
CID 135984927
sodium 5-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2-sulfonate
CID 135482636
disodium;6-amino-5-[(4-ethylsulfonylphenyl)diazenyl]naphthalene-2-sulfonate;hydrogen sulfate
CID 59012407
CID 170850429
CID 170850429
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779

Frequently Asked Questions

What is the IUPAC name of sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate?
The IUPAC name of sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate (CID 135482633) is sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate is Nc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1.[Na+].
What is the InChIKey of sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate?
The InChIKey is LBEPRHXZCMRUBW-LTRPLHCISA-M. The full InChI is InChI=1S/C16H13N3O4S.Na/c17-11-2-4-12(5-3-11)18-19-16-14-7-6-13(24(21,22)23)9-10(14)1-8-15(16)20;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;.
What are the key properties of sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate?
sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate has a molecular weight of 365.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 135482633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).