sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate

C16H12N3NaO4S — CID 135570888

IUPACsodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
SMILESNc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+]
InChIInChI=1S/C16H13N3O4S.Na/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;
InChIKeyUKQPYKBHTGBUBC-LTRPLHCISA-M
MW365.35 g/mol
LogP0.45
Rot. Bonds3

About sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate

sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate (PubChem CID 135570888) has the molecular formula C16H12N3NaO4S and a molecular weight of 365.35 g/mol. Its IUPAC name is sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
PubChem CID135570888
Molecular FormulaC16H12N3NaO4S
Molecular Weight365.35 g/mol
Exact Mass365.04
IUPAC Namesodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
SMILESNc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+]
InChIInChI=1S/C16H13N3O4S.Na/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;
InChIKeyUKQPYKBHTGBUBC-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': '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

trisodium;7-amino-4-hydroxy-3-[[7-sulfonato-4-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565434
trisodium;6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565092
CID 137180855
CID 137180855
sodium 6-amino-4-hydroxy-3-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonate
CID 135666524
7-amino-3-[[4-[4-[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136700319
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
disodium;7-amino-3-[[6-[(5-carboxy-3-pyridinyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 136747730
6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate
CID 135920985
disodium;6-amino-4-hydroxy-3-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
CID 165363630
disodium;7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-5-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate
CID 165363118
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
tetrasodium;4-amino-3-[[4-[(E)-2-[4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
CID 135571041

Frequently Asked Questions

What is the IUPAC name of sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate?
The IUPAC name of sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate (CID 135570888) is sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate.
What is the SMILES notation for sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate?
The canonical SMILES for sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate is Nc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].
What is the InChIKey of sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate?
The InChIKey is UKQPYKBHTGBUBC-LTRPLHCISA-M. The full InChI is InChI=1S/C16H13N3O4S.Na/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1/b19-18+;.
What are the key properties of sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate?
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-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 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate is sourced from PubChem (CID 135570888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).