N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide

C22H19Cl2N3O3S — CID 92644228

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2N3O3S/c1-16-6-10-19(11-7-16)27(31(29,30)20-12-8-18(23)9-13-20)15-22(28)26-25-14-17-4-2-3-5-21(17)24/h2-14H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyGNDIJYHAMNHFCB-QFEZKATASA-N
MW476.39 g/mol
LogP4.65
Rot. Bonds7

About N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 92644228) has the molecular formula C22H19Cl2N3O3S and a molecular weight of 476.39 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID92644228
Molecular FormulaC22H19Cl2N3O3S
Molecular Weight476.39 g/mol
Exact Mass475.05
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl2N3O3S/c1-16-6-10-19(11-7-16)27(31(29,30)20-12-8-18(23)9-13-20)15-22(28)26-25-14-17-4-2-3-5-21(17)24/h2-14H,15H2,1H3,(H,26,28)/b25-14-
InChIKeyGNDIJYHAMNHFCB-QFEZKATASA-N
XLogP4.65
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 ≤ 54.65
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-chlorophenyl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92644376
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92644226
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 92644255
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588719
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 92641057
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 28588927
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126141325
2-[(E)-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879462
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 126031098
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 6871646

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide (CID 92644228) is N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide is Cc1ccc(N(CC(=O)N/N=C\c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is GNDIJYHAMNHFCB-QFEZKATASA-N. The full InChI is InChI=1S/C22H19Cl2N3O3S/c1-16-6-10-19(11-7-16)27(31(29,30)20-12-8-18(23)9-13-20)15-22(28)26-25-14-17-4-2-3-5-21(17)24/h2-14H,15H2,1H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 476.39 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 92644228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).