4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide

C15H11N5O5S — CID 136661092

IUPAC4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12
InChIInChI=1S/C15H11N5O5S/c16-26(24,25)13-7-12(15(21)11-4-2-1-3-10(11)13)18-19-14-6-5-9(8-17-14)20(22)23/h1-8,21H,(H2,16,24,25)/b19-18+
InChIKeyYWEUOHNFVJCFBC-VHEBQXMUSA-N
MW373.35 g/mol
LogP2.91
Rot. Bonds4

About 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide

4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide (PubChem CID 136661092) has the molecular formula C15H11N5O5S and a molecular weight of 373.35 g/mol. Its IUPAC name is 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
PubChem CID136661092
Molecular FormulaC15H11N5O5S
Molecular Weight373.35 g/mol
Exact Mass373.05
IUPAC Name4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12
InChIInChI=1S/C15H11N5O5S/c16-26(24,25)13-7-12(15(21)11-4-2-1-3-10(11)13)18-19-14-6-5-9(8-17-14)20(22)23/h1-8,21H,(H2,16,24,25)/b19-18+
InChIKeyYWEUOHNFVJCFBC-VHEBQXMUSA-N
XLogP2.91
TPSA161.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
1-Naphthalenol, 2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 135754927
Copper(II) 2-(2-pyridylazo)-1-naphthol-4-sulfonate
CID 163409676
1-Naphthalenol, 2-[2-(3-nitro-2-pyridinyl)diazenyl]-
CID 136241749
1-Naphthalenol, 4-(methylthio)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661049
1,2-Naphthalenedione, 4-(4-hydroxy-3,5-dimethylphenyl)-, 2-[2-(5-nitro-2-pyridinyl)hydrazone]-
CID 136661120
2-Naphthalenesulfonamide, 5-hydroxy-6-[2-(2-pyridinyl)diazenyl]-
CID 136665583
2-[2-(5-Nitropyridin-2-yl)hydrazinyl]naphthalene-1,4-dione
CID 136665588
1-naphthalenesulfonamide, N-(1,1-dimethylethyl)-4-hydroxy-3-[2-(2-pyridinyl)diazenyl]-
CID 136666148
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666309
4-Hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
CID 135702820
4-Hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
CID 135706147

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide (CID 136661092) is 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide is NS(=O)(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
The InChIKey is YWEUOHNFVJCFBC-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H11N5O5S/c16-26(24,25)13-7-12(15(21)11-4-2-1-3-10(11)13)18-19-14-6-5-9(8-17-14)20(22)23/h1-8,21H,(H2,16,24,25)/b19-18+.
What are the key properties of 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide?
4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide has a molecular weight of 373.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 136661092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).