3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

C20H18N4O4S — CID 6904564

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccn3)c2)cc1
InChIInChI=1S/C20H18N4O4S/c1-28-18-10-8-16(9-11-18)24-29(26,27)19-7-4-5-15(13-19)20(25)23-22-14-17-6-2-3-12-21-17/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyLFAAJCXDLGLCHE-HYARGMPZSA-N
MW410.46 g/mol
LogP2.65
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 6904564) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID6904564
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccn3)c2)cc1
InChIInChI=1S/C20H18N4O4S/c1-28-18-10-8-16(9-11-18)24-29(26,27)19-7-4-5-15(13-19)20(25)23-22-14-17-6-2-3-12-21-17/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyLFAAJCXDLGLCHE-HYARGMPZSA-N
XLogP2.65
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6893292
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 8972293
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 42991112
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2434148
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
CID 3893125
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 6904564) is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccn3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is LFAAJCXDLGLCHE-HYARGMPZSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-28-18-10-8-16(9-11-18)24-29(26,27)19-7-4-5-15(13-19)20(25)23-22-14-17-6-2-3-12-21-17/h2-14,24H,1H3,(H,23,25)/b22-14+.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 410.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).