3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide

C16H14N4O3S — CID 136661919

IUPAC3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc2ccc(O)cc2c1/N=N/c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H14N4O3S/c17-15-7-5-10-4-6-12(21)9-14(10)16(15)20-19-11-2-1-3-13(8-11)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+
InChIKeyHOZLBZPTXVULTL-FMQUCBEESA-N
MW342.38 g/mol
LogP3.19
Rot. Bonds3

About 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide

3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide (PubChem CID 136661919) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
PubChem CID136661919
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc2ccc(O)cc2c1/N=N/c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H14N4O3S/c17-15-7-5-10-4-6-12(21)9-14(10)16(15)20-19-11-2-1-3-13(8-11)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+
InChIKeyHOZLBZPTXVULTL-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide (CID 136661919) is 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide is Nc1ccc2ccc(O)cc2c1/N=N/c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
The InChIKey is HOZLBZPTXVULTL-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-15-7-5-10-4-6-12(21)9-14(10)16(15)20-19-11-2-1-3-13(8-11)24(18,22)23/h1-9,21H,17H2,(H2,18,22,23)/b20-19+.
What are the key properties of 3-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide?
3-[(2-amino-7-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-[(2-amino-7-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 136661919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).