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

C23H20BrCl2N3O3S — CID 126128492

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H20BrCl2N3O3S/c1-16-6-9-19(10-7-16)33(31,32)29(14-17-8-11-21(25)22(26)12-17)15-23(30)28-27-13-18-4-2-3-5-20(18)24/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyYGVFKTUUCNMCMV-WKIKZPBSSA-N
MW569.31 g/mol
LogP5.41
Rot. Bonds8

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

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126128492) has the molecular formula C23H20BrCl2N3O3S and a molecular weight of 569.31 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126128492
Molecular FormulaC23H20BrCl2N3O3S
Molecular Weight569.31 g/mol
Exact Mass566.98
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H20BrCl2N3O3S/c1-16-6-9-19(10-7-16)33(31,32)29(14-17-8-11-21(25)22(26)12-17)15-23(30)28-27-13-18-4-2-3-5-20(18)24/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyYGVFKTUUCNMCMV-WKIKZPBSSA-N
XLogP5.41
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.31
LogP ≤ 55.41
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'}

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588732
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126118556
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126126215
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126060509
N-[(E)-(2-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126374062
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126075784
N-[(E)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126372406
2-[(Z)-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126027579
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 137168364
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 3750829
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137051503

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126128492) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YGVFKTUUCNMCMV-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H20BrCl2N3O3S/c1-16-6-9-19(10-7-16)33(31,32)29(14-17-8-11-21(25)22(26)12-17)15-23(30)28-27-13-18-4-2-3-5-20(18)24/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 569.31 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126128492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).