N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide

C18H19Cl2N3O3S — CID 46803829

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O3S/c1-3-23(4-2)27(25,26)16-7-5-6-13(10-16)18(24)22-21-12-14-8-9-15(19)11-17(14)20/h5-12H,3-4H2,1-2H3,(H,22,24)/b21-12+
InChIKeyWIJHZJTZYBPPII-CIAFOILYSA-N
MW428.34 g/mol
LogP3.79
Rot. Bonds7

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide (PubChem CID 46803829) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
PubChem CID46803829
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O3S/c1-3-23(4-2)27(25,26)16-7-5-6-13(10-16)18(24)22-21-12-14-8-9-15(19)11-17(14)20/h5-12H,3-4H2,1-2H3,(H,22,24)/b21-12+
InChIKeyWIJHZJTZYBPPII-CIAFOILYSA-N
XLogP3.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.79
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

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
3-(diethylsulfamoyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 135401277
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 5186191
4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 2467224
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6900515
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 2094492
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 30476036
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide (CID 46803829) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
The InChIKey is WIJHZJTZYBPPII-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c1-3-23(4-2)27(25,26)16-7-5-6-13(10-16)18(24)22-21-12-14-8-9-15(19)11-17(14)20/h5-12H,3-4H2,1-2H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide has a molecular weight of 428.34 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 46803829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).