2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide

C23H22BrN3O3S — CID 6103783

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C23H22BrN3O3S/c1-17(19-11-8-12-20(24)15-19)25-26-23(28)21-13-6-7-14-22(21)27(31(2,29)30)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,28)/b25-17-
InChIKeyUPJBOKJZSYFLND-UQQQWYQISA-N
MW500.42 g/mol
LogP4.57
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide

2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide (PubChem CID 6103783) has the molecular formula C23H22BrN3O3S and a molecular weight of 500.42 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
PubChem CID6103783
Molecular FormulaC23H22BrN3O3S
Molecular Weight500.42 g/mol
Exact Mass499.06
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C23H22BrN3O3S/c1-17(19-11-8-12-20(24)15-19)25-26-23(28)21-13-6-7-14-22(21)27(31(2,29)30)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,28)/b25-17-
InChIKeyUPJBOKJZSYFLND-UQQQWYQISA-N
XLogP4.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]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-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878893
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 27868265
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 98050753
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]benzamide
CID 43879006

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide (CID 6103783) is 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(Br)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide?
The InChIKey is UPJBOKJZSYFLND-UQQQWYQISA-N. The full InChI is InChI=1S/C23H22BrN3O3S/c1-17(19-11-8-12-20(24)15-19)25-26-23(28)21-13-6-7-14-22(21)27(31(2,29)30)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,28)/b25-17-.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide?
2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide has a molecular weight of 500.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6103783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).