7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid

C16H13N3O4S — CID 135819077

IUPAC7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESNc1ccc2c(O)cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c2c1
InChIInChI=1S/C16H13N3O4S/c17-10-6-7-12-13(8-10)16(15(9-14(12)20)24(21,22)23)19-18-11-4-2-1-3-5-11/h1-9,20H,17H2,(H,21,22,23)/b19-18+
InChIKeyVPRLEXRSAZWTDB-VHEBQXMUSA-N
MW343.36 g/mol
LogP3.79
Rot. Bonds3

About 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid

7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid (PubChem CID 135819077) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
PubChem CID135819077
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESNc1ccc2c(O)cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c2c1
InChIInChI=1S/C16H13N3O4S/c17-10-6-7-12-13(8-10)16(15(9-14(12)20)24(21,22)23)19-18-11-4-2-1-3-5-11/h1-9,20H,17H2,(H,21,22,23)/b19-18+
InChIKeyVPRLEXRSAZWTDB-VHEBQXMUSA-N
XLogP3.79
TPSA125.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136829722
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
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
CID 137180855
CID 137180855
3-[(4-aminophenyl)diazenyl]-6-anilino-4-hydroxynaphthalene-2-sulfonic acid
CID 136917514
2-[(1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-6-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,7-disulfonic acid
CID 137130409
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
CID 170850429
CID 170850429
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
disodium;6-[[(4-aminophenyl)-hydroxymethylidene]amino]-2-[[4-[C-hydroxy-N-(5-oxido-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbonimidoyl]phenyl]diazenyl]-3-sulfonaphthalen-1-olate
CID 136775132
4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 136688709
4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid?
The IUPAC name of 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid (CID 135819077) is 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid?
The canonical SMILES for 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid is Nc1ccc2c(O)cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c2c1.
What is the InChIKey of 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid?
The InChIKey is VPRLEXRSAZWTDB-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-10-6-7-12-13(8-10)16(15(9-14(12)20)24(21,22)23)19-18-11-4-2-1-3-5-11/h1-9,20H,17H2,(H,21,22,23)/b19-18+.
What are the key properties of 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid?
7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid has a molecular weight of 343.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 135819077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).