3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C21H20N4O4S — CID 29144925

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccccn3)c2)cc1
InChIInChI=1S/C21H20N4O4S/c1-15(20-8-3-4-13-22-20)23-24-21(26)16-6-5-7-19(14-16)30(27,28)25-17-9-11-18(29-2)12-10-17/h3-14,25H,1-2H3,(H,24,26)/b23-15-
InChIKeyNPXXMPXCEJZMSW-HAHDFKILSA-N
MW424.48 g/mol
LogP3.05
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 29144925) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID29144925
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccccn3)c2)cc1
InChIInChI=1S/C21H20N4O4S/c1-15(20-8-3-4-13-22-20)23-24-21(26)16-6-5-7-19(14-16)30(27,28)25-17-9-11-18(29-2)12-10-17/h3-14,25H,1-2H3,(H,24,26)/b23-15-
InChIKeyNPXXMPXCEJZMSW-HAHDFKILSA-N
XLogP3.05
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.05
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

N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 6236397
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6904564
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 4230474
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 42991101
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
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-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 29144925) is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccccn3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is NPXXMPXCEJZMSW-HAHDFKILSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-15(20-8-3-4-13-22-20)23-24-21(26)16-6-5-7-19(14-16)30(27,28)25-17-9-11-18(29-2)12-10-17/h3-14,25H,1-2H3,(H,24,26)/b23-15-.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.05, 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-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 29144925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).