2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide

C17H16Cl3N3O3S — CID 5349202

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H16Cl3N3O3S/c1-11-6-7-12(18)8-16(11)23(27(2,25)26)10-17(24)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,10H2,1-2H3,(H,22,24)/b21-9+
InChIKeyYOFNJJAORDKMJQ-ZVBGSRNCSA-N
MW448.76 g/mol
LogP3.87
Rot. Bonds6

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide (PubChem CID 5349202) has the molecular formula C17H16Cl3N3O3S and a molecular weight of 448.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
PubChem CID5349202
Molecular FormulaC17H16Cl3N3O3S
Molecular Weight448.76 g/mol
Exact Mass447.00
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H16Cl3N3O3S/c1-11-6-7-12(18)8-16(11)23(27(2,25)26)10-17(24)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,10H2,1-2H3,(H,22,24)/b21-9+
InChIKeyYOFNJJAORDKMJQ-ZVBGSRNCSA-N
XLogP3.87
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.76
LogP ≤ 53.87
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)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126033666
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 92661070
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 126034348
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126032799
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135916009
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126034228
N-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 94831385
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43879146
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031327

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide (CID 5349202) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide is Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is YOFNJJAORDKMJQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H16Cl3N3O3S/c1-11-6-7-12(18)8-16(11)23(27(2,25)26)10-17(24)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,10H2,1-2H3,(H,22,24)/b21-9+.
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 448.76 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5349202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).