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

C19H20N4O3S — CID 136666148

IUPACN-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C19H20N4O3S/c1-19(2,3)23-27(25,26)16-12-15(21-22-17-10-6-7-11-20-17)18(24)14-9-5-4-8-13(14)16/h4-12,23-24H,1-3H3/b22-21+
InChIKeyXUONCHSRXFYKHY-QURGRASLSA-N
MW384.46 g/mol
LogP4.43
Rot. Bonds4

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

N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide (PubChem CID 136666148) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
PubChem CID136666148
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C19H20N4O3S/c1-19(2,3)23-27(25,26)16-12-15(21-22-17-10-6-7-11-20-17)18(24)14-9-5-4-8-13(14)16/h4-12,23-24H,1-3H3/b22-21+
InChIKeyXUONCHSRXFYKHY-QURGRASLSA-N
XLogP4.43
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.43
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 N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide (CID 136666148) is N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide is CC(C)(C)NS(=O)(=O)c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.
What is the InChIKey of N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
The InChIKey is XUONCHSRXFYKHY-QURGRASLSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-19(2,3)23-27(25,26)16-12-15(21-22-17-10-6-7-11-20-17)18(24)14-9-5-4-8-13(14)16/h4-12,23-24H,1-3H3/b22-21+.
What are the key properties of N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide?
N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 136666148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).