3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide

C22H20N4O6S — CID 42991101

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C22H20N4O6S/c1-15(16-5-3-7-19(13-16)26(28)29)23-24-22(27)17-6-4-8-21(14-17)33(30,31)25-18-9-11-20(32-2)12-10-18/h3-14,25H,1-2H3,(H,24,27)/b23-15+
InChIKeyPJDXUVMMKOGOBC-HZHRSRAPSA-N
MW468.49 g/mol
LogP3.56
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide (PubChem CID 42991101) has the molecular formula C22H20N4O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
PubChem CID42991101
Molecular FormulaC22H20N4O6S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C22H20N4O6S/c1-15(16-5-3-7-19(13-16)26(28)29)23-24-22(27)17-6-4-8-21(14-17)33(30,31)25-18-9-11-20(32-2)12-10-18/h3-14,25H,1-2H3,(H,24,27)/b23-15+
InChIKeyPJDXUVMMKOGOBC-HZHRSRAPSA-N
XLogP3.56
TPSA140.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 3647565
N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 4230474
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-nitrobenzamide
CID 135615299
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide (CID 42991101) is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is PJDXUVMMKOGOBC-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N4O6S/c1-15(16-5-3-7-19(13-16)26(28)29)23-24-22(27)17-6-4-8-21(14-17)33(30,31)25-18-9-11-20(32-2)12-10-18/h3-14,25H,1-2H3,(H,24,27)/b23-15+.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 468.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 42991101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).