4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide

C15H12N4O3S — CID 135706147

IUPAC4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C15H12N4O3S/c16-23(21,22)13-9-12(18-19-14-7-3-4-8-17-14)15(20)11-6-2-1-5-10(11)13/h1-9,20H,(H2,16,21,22)/b19-18+
InChIKeyCCKQGWCOGSIKTH-VHEBQXMUSA-N
MW328.35 g/mol
LogP3.00
Rot. Bonds3

About 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide

4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide (PubChem CID 135706147) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
PubChem CID135706147
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C15H12N4O3S/c16-23(21,22)13-9-12(18-19-14-7-3-4-8-17-14)15(20)11-6-2-1-5-10(11)13/h1-9,20H,(H2,16,21,22)/b19-18+
InChIKeyCCKQGWCOGSIKTH-VHEBQXMUSA-N
XLogP3.00
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.00
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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Related Compounds

2-(2-Pyridylazo)-1-naphthol
CID 2831996
4-[(4-hydroxynaphthalen-1-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 136240256
4-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
Copper(II) 2-(2-pyridylazo)-1-naphthol-4-sulfonate
CID 163409676
1-Naphthalenol, 2-[2-(5-methyl-2-pyridinyl)diazenyl]-
CID 135999262
1-Naphthalenol, 4-(methylthio)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661049
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661092
2-Naphthalenesulfonamide, 5-hydroxy-6-[2-(2-pyridinyl)diazenyl]-
CID 136665583
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
1-Naphthalenol, 2-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666310

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide (CID 135706147) is 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide is NS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The InChIKey is CCKQGWCOGSIKTH-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4O3S/c16-23(21,22)13-9-12(18-19-14-7-3-4-8-17-14)15(20)11-6-2-1-5-10(11)13/h1-9,20H,(H2,16,21,22)/b19-18+.
What are the key properties of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide has a molecular weight of 328.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 135706147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).