4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide

C20H19N3O4S — CID 28589297

IUPAC4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1OC
InChIInChI=1S/C20H19N3O4S/c1-26-19-7-3-5-15(20(19)27-2)13-22-16-8-10-18(11-9-16)28(24,25)23-17-6-4-12-21-14-17/h3-14,23H,1-2H3/b22-13+
InChIKeyGFKZRNQTYMUQLI-LPYMAVHISA-N
MW397.46 g/mol
LogP3.65
Rot. Bonds7

About 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide

4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 28589297) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
PubChem CID28589297
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1OC
InChIInChI=1S/C20H19N3O4S/c1-26-19-7-3-5-15(20(19)27-2)13-22-16-8-10-18(11-9-16)28(24,25)23-17-6-4-12-21-14-17/h3-14,23H,1-2H3/b22-13+
InChIKeyGFKZRNQTYMUQLI-LPYMAVHISA-N
XLogP3.65
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589320
4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589307
2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1275154
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (CID 28589297) is 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide is COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is GFKZRNQTYMUQLI-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-19-7-3-5-15(20(19)27-2)13-22-16-8-10-18(11-9-16)28(24,25)23-17-6-4-12-21-14-17/h3-14,23H,1-2H3/b22-13+.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 28589297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).