N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

C28H21BrN4O3S2 — CID 44941478

IUPACN-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(/N=C/c2ccccc2)c2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C28H21BrN4O3S2/c1-32(23-10-6-3-7-11-23)38(35,36)24-15-12-21(13-16-24)27(34)33(30-19-20-8-4-2-5-9-20)28-31-25-17-14-22(29)18-26(25)37-28/h2-19H,1H3/b30-19+
InChIKeyQEMXMKFPMFUURV-NDZAJKAJSA-N
MW605.54 g/mol
LogP6.56
Rot. Bonds7

About N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 44941478) has the molecular formula C28H21BrN4O3S2 and a molecular weight of 605.54 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID44941478
Molecular FormulaC28H21BrN4O3S2
Molecular Weight605.54 g/mol
Exact Mass604.02
IUPAC NameN-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(/N=C/c2ccccc2)c2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C28H21BrN4O3S2/c1-32(23-10-6-3-7-11-23)38(35,36)24-15-12-21(13-16-24)27(34)33(30-19-20-8-4-2-5-9-20)28-31-25-17-14-22(29)18-26(25)37-28/h2-19H,1H3/b30-19+
InChIKeyQEMXMKFPMFUURV-NDZAJKAJSA-N
XLogP6.56
TPSA82.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.54
LogP ≤ 56.56
H-Bond Donors ≤ 50
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'}

Analyze N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]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

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 44942063
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 44941870
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 44941414
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 44941420
4-[benzyl(ethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 44941588
N-[(E)-benzylideneamino]-4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)benzamide
CID 44941441
N-[(E)-benzylideneamino]-4-(dimethylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44943916
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 44942947
N-[(E)-benzylideneamino]-4-[ethyl(phenyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 44942769
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 44941549
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 44941471
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenylbenzamide
CID 44942197

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 44941478) is N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(/N=C/c2ccccc2)c2nc3ccc(Br)cc3s2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is QEMXMKFPMFUURV-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H21BrN4O3S2/c1-32(23-10-6-3-7-11-23)38(35,36)24-15-12-21(13-16-24)27(34)33(30-19-20-8-4-2-5-9-20)28-31-25-17-14-22(29)18-26(25)37-28/h2-19H,1H3/b30-19+.
What are the key properties of N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 605.54 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-N-(6-bromo-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 44941478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).