4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide

C16H14N4O3S — CID 136666309

IUPAC4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
SMILESCc1ccnc(/N=N/c2cc(S(N)(=O)=O)c3ccccc3c2O)c1
InChIInChI=1S/C16H14N4O3S/c1-10-6-7-18-15(8-10)20-19-13-9-14(24(17,22)23)11-4-2-3-5-12(11)16(13)21/h2-9,21H,1H3,(H2,17,22,23)/b20-19+
InChIKeyTZUGYHICGUCYNC-FMQUCBEESA-N
MW342.38 g/mol
LogP3.31
Rot. Bonds3

About 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide

4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide (PubChem CID 136666309) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
PubChem CID136666309
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
SMILESCc1ccnc(/N=N/c2cc(S(N)(=O)=O)c3ccccc3c2O)c1
InChIInChI=1S/C16H14N4O3S/c1-10-6-7-18-15(8-10)20-19-13-9-14(24(17,22)23)11-4-2-3-5-12(11)16(13)21/h2-9,21H,1H3,(H2,17,22,23)/b20-19+
InChIKeyTZUGYHICGUCYNC-FMQUCBEESA-N
XLogP3.31
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide (CID 136666309) is 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide is Cc1ccnc(/N=N/c2cc(S(N)(=O)=O)c3ccccc3c2O)c1.
What is the InChIKey of 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The InChIKey is TZUGYHICGUCYNC-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10-6-7-18-15(8-10)20-19-13-9-14(24(17,22)23)11-4-2-3-5-12(11)16(13)21/h2-9,21H,1H3,(H2,17,22,23)/b20-19+.
What are the key properties of 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 136666309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).