4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide

C16H16N4O4S — CID 5095728

IUPAC4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)cc1
InChIInChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)20(3)16(22)14(10)9-19-11-4-6-12(7-5-11)25(23,24)18-2/h4-7,9,18,22H,1-3H3/b19-9+
InChIKeyNFWAVLONZRORBK-DJKKODMXSA-N
MW360.40 g/mol
LogP0.93
Rot. Bonds4

About 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide

4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide (PubChem CID 5095728) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide
PubChem CID5095728
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)cc1
InChIInChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)20(3)16(22)14(10)9-19-11-4-6-12(7-5-11)25(23,24)18-2/h4-7,9,18,22H,1-3H3/b19-9+
InChIKeyNFWAVLONZRORBK-DJKKODMXSA-N
XLogP0.93
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide (CID 5095728) is 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)cc1.
What is the InChIKey of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide?
The InChIKey is NFWAVLONZRORBK-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10-13(8-17)15(21)20(3)16(22)14(10)9-19-11-4-6-12(7-5-11)25(23,24)18-2/h4-7,9,18,22H,1-3H3/b19-9+.
What are the key properties of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide?
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 5095728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).