N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C18H19Cl2N3O3S — CID 126166508

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C\c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C18H19Cl2N3O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)22-10-17(24)23-21-9-14-15(19)5-4-6-16(14)20/h4-9,22H,10H2,1-3H3,(H,23,24)/b21-9-
InChIKeyFBASTVZVGDUDOA-NKVSQWTQSA-N
MW428.34 g/mol
LogP3.35
Rot. Bonds6

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 126166508) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID126166508
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C\c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C18H19Cl2N3O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)22-10-17(24)23-21-9-14-15(19)5-4-6-16(14)20/h4-9,22H,10H2,1-3H3,(H,23,24)/b21-9-
InChIKeyFBASTVZVGDUDOA-NKVSQWTQSA-N
XLogP3.35
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
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

N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-(3-chloro-4-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112998200
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126153930
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(2,6-dichlorophenyl)methylideneamino]nonanamide
CID 3711942
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 5349202
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6249030
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 126166508) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C\c2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is FBASTVZVGDUDOA-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)22-10-17(24)23-21-9-14-15(19)5-4-6-16(14)20/h4-9,22H,10H2,1-3H3,(H,23,24)/b21-9-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 428.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126166508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).