3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide

C16H14N4O3S — CID 162662188

IUPAC3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccc(O)cc12
InChIInChI=1S/C16H14N4O3S/c17-15-6-7-16(13-5-4-11(21)9-14(13)15)20-19-10-2-1-3-12(8-10)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+
InChIKeyYLALBKOFXZYGLX-FMQUCBEESA-N
MW342.38 g/mol
LogP3.19
Rot. Bonds3

About 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide

3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide (PubChem CID 162662188) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
PubChem CID162662188
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccc(O)cc12
InChIInChI=1S/C16H14N4O3S/c17-15-6-7-16(13-5-4-11(21)9-14(13)15)20-19-10-2-1-3-12(8-10)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+
InChIKeyYLALBKOFXZYGLX-FMQUCBEESA-N
XLogP3.19
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.19
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'}

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Related Compounds

8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 136661919
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
sodium 8-amino-5-[[4-(4-hydroxyphenyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 135488966
[3-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]-oxido-oxophosphanium
CID 139649873
5-hydroxy-2-phenyldiazenylbenzenesulfonamide
CID 137184602
3-[(2,4-diaminophenyl)diazenyl]benzenesulfonic acid
CID 20764494
CID 170845569
CID 170845569
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
3-[(3-sulfamoylphenyl)iminomethylideneamino]benzenesulfonamide
CID 163451319

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide (CID 162662188) is 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide is Nc1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccc(O)cc12.
What is the InChIKey of 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The InChIKey is YLALBKOFXZYGLX-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-15-6-7-16(13-5-4-11(21)9-14(13)15)20-19-10-2-1-3-12(8-10)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+.
What are the key properties of 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide has a molecular weight of 342.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 162662188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).