4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

C14H15N3O3S — CID 25237443

IUPAC4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11(12-7-9-15-10-8-12)16-17-21(18,19)14-5-3-13(20-2)4-6-14/h3-10,17H,1-2H3/b16-11-
InChIKeyCAZXJOCVPHECCB-WJDWOHSUSA-N
MW305.36 g/mol
LogP1.79
Rot. Bonds5

About 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (PubChem CID 25237443) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
PubChem CID25237443
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11(12-7-9-15-10-8-12)16-17-21(18,19)14-5-3-13(20-2)4-6-14/h3-10,17H,1-2H3/b16-11-
InChIKeyCAZXJOCVPHECCB-WJDWOHSUSA-N
XLogP1.79
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (CID 25237443) is 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The InChIKey is CAZXJOCVPHECCB-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-11(12-7-9-15-10-8-12)16-17-21(18,19)14-5-3-13(20-2)4-6-14/h3-10,17H,1-2H3/b16-11-.
What are the key properties of 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).