N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide

C19H22BrN3O4S — CID 6900515

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C19H22BrN3O4S/c1-4-23(5-2)28(25,26)17-8-6-7-14(12-17)19(24)22-21-13-15-11-16(20)9-10-18(15)27-3/h6-13H,4-5H2,1-3H3,(H,22,24)/b21-13+
InChIKeyWDDZOYVIVXLWAM-FYJGNVAPSA-N
MW468.37 g/mol
LogP3.25
Rot. Bonds8

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide (PubChem CID 6900515) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
PubChem CID6900515
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C19H22BrN3O4S/c1-4-23(5-2)28(25,26)17-8-6-7-14(12-17)19(24)22-21-13-15-11-16(20)9-10-18(15)27-3/h6-13H,4-5H2,1-3H3,(H,22,24)/b21-13+
InChIKeyWDDZOYVIVXLWAM-FYJGNVAPSA-N
XLogP3.25
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 53.25
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'}

Analyze N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
3-(diethylsulfamoyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 135401277
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 46803829
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
[4-bromo-2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6000864
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126135339
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
[4-bromo-2-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 126326869

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide (CID 6900515) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The InChIKey is WDDZOYVIVXLWAM-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-4-23(5-2)28(25,26)17-8-6-7-14(12-17)19(24)22-21-13-15-11-16(20)9-10-18(15)27-3/h6-13H,4-5H2,1-3H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 6900515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).