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

C15H14N4O4S — CID 851490

IUPACN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide
SMILESCc1c(C=NNS(=O)(=O)c2ccccc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H14N4O4S/c1-10-12(8-16)14(20)19(2)15(21)13(10)9-17-18-24(22,23)11-6-4-3-5-7-11/h3-7,9,18,21H,1-2H3
InChIKeyRLAFDTGOQUYSHL-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.58
Rot. Bonds4

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

N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide (PubChem CID 851490) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide
PubChem CID851490
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide
SMILESCc1c(C=NNS(=O)(=O)c2ccccc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H14N4O4S/c1-10-12(8-16)14(20)19(2)15(21)13(10)9-17-18-24(22,23)11-6-4-3-5-7-11/h3-7,9,18,21H,1-2H3
InChIKeyRLAFDTGOQUYSHL-UHFFFAOYSA-N
XLogP0.58
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide (CID 851490) is N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide is Cc1c(C=NNS(=O)(=O)c2ccccc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide?
The InChIKey is RLAFDTGOQUYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-10-12(8-16)14(20)19(2)15(21)13(10)9-17-18-24(22,23)11-6-4-3-5-7-11/h3-7,9,18,21H,1-2H3.
What are the key properties of N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide?
N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 851490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).