4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride

C15H10ClN3O3S — CID 135789546

IUPAC4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C15H10ClN3O3S/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/b19-18+
InChIKeyYZNQECJHUKEJRK-VHEBQXMUSA-N
MW347.78 g/mol
LogP4.28
Rot. Bonds3

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

4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride (PubChem CID 135789546) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride
PubChem CID135789546
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC Name4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C15H10ClN3O3S/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/b19-18+
InChIKeyYZNQECJHUKEJRK-VHEBQXMUSA-N
XLogP4.28
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
5-[(5-Bromo-2-pyridinyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 136048636
Copper(II) 2-(2-pyridylazo)-1-naphthol-4-sulfonate
CID 163409676
4-(Chlorosulphonyl)-2-(2-pyridylazo)-1-naphthyl pivalate
CID 16205935
2-(2-Pyridylazo)-4-sulpho-1-naphthyl pivalate
CID 16205936
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
1-Naphthalenol, 4-methyl-2-[2-(3-methyl-2-pyridinyl)diazenyl]-
CID 136662692
1-Naphthalenol, 4-methyl-2-[2-(2-pyridinyl)diazenyl]-
CID 136662737

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride?
The IUPAC name of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride (CID 135789546) is 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride?
The InChIKey is YZNQECJHUKEJRK-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/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/b19-18+.
What are the key properties of 4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride?
4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonyl chloride has a molecular weight of 347.78 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 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-sulfonyl chloride is sourced from PubChem (CID 135789546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).