2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide

C17H17Cl2N3O4S — CID 126034228

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-26-14-6-3-12(4-7-14)10-20-21-17(23)11-22(27(2,24)25)16-9-13(18)5-8-15(16)19/h3-10H,11H2,1-2H3,(H,21,23)/b20-10-
InChIKeyHMVBARMAXJPUCM-JMIUGGIZSA-N
MW430.31 g/mol
LogP2.92
Rot. Bonds7

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 126034228) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID126034228
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-26-14-6-3-12(4-7-14)10-20-21-17(23)11-22(27(2,24)25)16-9-13(18)5-8-15(16)19/h3-10H,11H2,1-2H3,(H,21,23)/b20-10-
InChIKeyHMVBARMAXJPUCM-JMIUGGIZSA-N
XLogP2.92
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031327
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 126034348
methyl 4-[(Z)-[[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 28589850
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879653
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126033637
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879630
2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 94838302
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 6876753
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 92684863
methyl 2-[4-[(Z)-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126191607

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide (CID 126034228) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is HMVBARMAXJPUCM-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-26-14-6-3-12(4-7-14)10-20-21-17(23)11-22(27(2,24)25)16-9-13(18)5-8-15(16)19/h3-10H,11H2,1-2H3,(H,21,23)/b20-10-.
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 430.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126034228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).