2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide

C22H18BrCl2N3O3S — CID 98105346

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18BrCl2N3O3S/c23-18-7-9-19(10-8-18)32(30,31)28(14-16-4-2-1-3-5-16)15-22(29)27-26-13-17-6-11-20(24)21(25)12-17/h1-13H,14-15H2,(H,27,29)/b26-13-
InChIKeyCLUJNQJVNXXIAV-ZMFRSBBQSA-N
MW555.28 g/mol
LogP5.10
Rot. Bonds8

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 98105346) has the molecular formula C22H18BrCl2N3O3S and a molecular weight of 555.28 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID98105346
Molecular FormulaC22H18BrCl2N3O3S
Molecular Weight555.28 g/mol
Exact Mass552.96
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18BrCl2N3O3S/c23-18-7-9-19(10-8-18)32(30,31)28(14-16-4-2-1-3-5-16)15-22(29)27-26-13-17-6-11-20(24)21(25)12-17/h1-13H,14-15H2,(H,27,29)/b26-13-
InChIKeyCLUJNQJVNXXIAV-ZMFRSBBQSA-N
XLogP5.10
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.28
LogP ≤ 55.10
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-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide 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

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
N-[(E)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126372406
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 126378249
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 126374807
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126373385
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
CID 6086929
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 126123253
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126375574
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 126149973
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126152756
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126005686

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (CID 98105346) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is CLUJNQJVNXXIAV-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H18BrCl2N3O3S/c23-18-7-9-19(10-8-18)32(30,31)28(14-16-4-2-1-3-5-16)15-22(29)27-26-13-17-6-11-20(24)21(25)12-17/h1-13H,14-15H2,(H,27,29)/b26-13-.
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 555.28 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 98105346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).