4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide

C16H14N4O2S — CID 2725202

IUPAC4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C16H14N4O2S/c17-15-9-10-16(14-4-2-1-3-13(14)15)20-19-11-5-7-12(8-6-11)23(18,21)22/h1-10H,17H2,(H2,18,21,22)/b20-19+
InChIKeyWMEUHDPAOLMAES-FMQUCBEESA-N
MW326.38 g/mol
LogP3.48
Rot. Bonds3

About 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide

4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide (PubChem CID 2725202) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
PubChem CID2725202
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C16H14N4O2S/c17-15-9-10-16(14-4-2-1-3-13(14)15)20-19-11-5-7-12(8-6-11)23(18,21)22/h1-10H,17H2,(H2,18,21,22)/b20-19+
InChIKeyWMEUHDPAOLMAES-FMQUCBEESA-N
XLogP3.48
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
CID 20837891
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 162662188
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[2-[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 123942651
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
CID 170845569
CID 170845569
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide (CID 2725202) is 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide is Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide?
The InChIKey is WMEUHDPAOLMAES-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-15-9-10-16(14-4-2-1-3-13(14)15)20-19-11-5-7-12(8-6-11)23(18,21)22/h1-10H,17H2,(H2,18,21,22)/b20-19+.
What are the key properties of 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide?
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 2725202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).