N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide

C22H19Cl2N3O3S — CID 94838470

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2N3O3S/c1-31(29,30)27(15-18-4-2-3-5-21(18)24)20-12-8-17(9-13-20)22(28)26-25-14-16-6-10-19(23)11-7-16/h2-14H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyGLDVSVUJPPWKPY-QFEZKATASA-N
MW476.39 g/mol
LogP4.72
Rot. Bonds7

About N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 94838470) has the molecular formula C22H19Cl2N3O3S and a molecular weight of 476.39 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID94838470
Molecular FormulaC22H19Cl2N3O3S
Molecular Weight476.39 g/mol
Exact Mass475.05
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2N3O3S/c1-31(29,30)27(15-18-4-2-3-5-21(18)24)20-12-8-17(9-13-20)22(28)26-25-14-16-6-10-19(23)11-7-16/h2-14H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyGLDVSVUJPPWKPY-QFEZKATASA-N
XLogP4.72
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.72
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

methyl 4-[(Z)-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]hydrazinylidene]methyl]benzoate
CID 92644414
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 94838491
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43879524
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126033722
[4-[(E)-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
CID 6873213
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 43879535
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 28588974
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 1003134
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 5113637
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43879574
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]benzamide
CID 129440945
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 43879830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide (CID 94838470) is N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is GLDVSVUJPPWKPY-QFEZKATASA-N. The full InChI is InChI=1S/C22H19Cl2N3O3S/c1-31(29,30)27(15-18-4-2-3-5-21(18)24)20-12-8-17(9-13-20)22(28)26-25-14-16-6-10-19(23)11-7-16/h2-14H,15H2,1H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 476.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 94838470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).