N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C23H21BrClN3O4S — CID 137168364

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21BrClN3O4S/c1-16-5-8-21(9-6-16)33(31,32)28(14-17-3-2-4-20(25)11-17)15-23(30)27-26-13-18-12-19(24)7-10-22(18)29/h2-13,29H,14-15H2,1H3,(H,27,30)/b26-13-
InChIKeyUFPIYPJOUYMCLD-ZMFRSBBQSA-N
MW550.86 g/mol
LogP4.46
Rot. Bonds8

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 137168364) has the molecular formula C23H21BrClN3O4S and a molecular weight of 550.86 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID137168364
Molecular FormulaC23H21BrClN3O4S
Molecular Weight550.86 g/mol
Exact Mass549.01
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21BrClN3O4S/c1-16-5-8-21(9-6-16)33(31,32)28(14-17-3-2-4-20(25)11-17)15-23(30)27-26-13-18-12-19(24)7-10-22(18)29/h2-13,29H,14-15H2,1H3,(H,27,30)/b26-13-
InChIKeyUFPIYPJOUYMCLD-ZMFRSBBQSA-N
XLogP4.46
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 137168159
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126075784
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137051503
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137168087
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588732
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 137168117
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 126081040
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126118556
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126128492
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137138074
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126067134
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073131

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 137168364) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(Br)ccc2O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UFPIYPJOUYMCLD-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H21BrClN3O4S/c1-16-5-8-21(9-6-16)33(31,32)28(14-17-3-2-4-20(25)11-17)15-23(30)27-26-13-18-12-19(24)7-10-22(18)29/h2-13,29H,14-15H2,1H3,(H,27,30)/b26-13-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 550.86 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 137168364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).