N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide

C16H20N4O3S — CID 59882351

IUPACN-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2c(C)c(C)c(=O)n(C)c2C)cc1
InChIInChI=1S/C16H20N4O3S/c1-10-11(2)16(21)20(5)12(3)15(10)19-18-13-6-8-14(9-7-13)24(22,23)17-4/h6-9,17H,1-5H3/b19-18+
InChIKeyYZKZPYKISQPUMB-VHEBQXMUSA-N
MW348.43 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide

N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide (PubChem CID 59882351) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide
PubChem CID59882351
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2c(C)c(C)c(=O)n(C)c2C)cc1
InChIInChI=1S/C16H20N4O3S/c1-10-11(2)16(21)20(5)12(3)15(10)19-18-13-6-8-14(9-7-13)24(22,23)17-4/h6-9,17H,1-5H3/b19-18+
InChIKeyYZKZPYKISQPUMB-VHEBQXMUSA-N
XLogP2.63
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide (CID 59882351) is N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(/N=N/c2c(C)c(C)c(=O)n(C)c2C)cc1.
What is the InChIKey of N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide?
The InChIKey is YZKZPYKISQPUMB-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-11(2)16(21)20(5)12(3)15(10)19-18-13-6-8-14(9-7-13)24(22,23)17-4/h6-9,17H,1-5H3/b19-18+.
What are the key properties of N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide?
N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 59882351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).