[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate

C16H13Cl3N2O5S — CID 134101638

IUPAC[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate
SMILESN/C(CS(=O)(=O)c1ccc(Cl)cc1)=N\OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O5S/c17-10-1-4-12(5-2-10)27(23,24)9-15(20)21-26-16(22)8-25-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H2,20,21)
InChIKeyLHLJGSCEDXQQSF-UHFFFAOYSA-N
MW451.72 g/mol
LogP3.31
Rot. Bonds7

About [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate

[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 134101638) has the molecular formula C16H13Cl3N2O5S and a molecular weight of 451.72 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate
PubChem CID134101638
Molecular FormulaC16H13Cl3N2O5S
Molecular Weight451.72 g/mol
Exact Mass449.96
IUPAC Name[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate
SMILESN/C(CS(=O)(=O)c1ccc(Cl)cc1)=N\OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O5S/c17-10-1-4-12(5-2-10)27(23,24)9-15(20)21-26-16(22)8-25-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H2,20,21)
InChIKeyLHLJGSCEDXQQSF-UHFFFAOYSA-N
XLogP3.31
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 170771225
[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
CID 2903284
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
[N-[2-(2,4-dichlorophenoxy)acetyl]oxy-C-methylcarbonimidoyl]-ethoxyphosphinic acid
CID 173409696
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate (CID 134101638) is [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate is N/C(CS(=O)(=O)c1ccc(Cl)cc1)=N\OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is LHLJGSCEDXQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O5S/c17-10-1-4-12(5-2-10)27(23,24)9-15(20)21-26-16(22)8-25-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H2,20,21).
What are the key properties of [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate?
[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 451.72 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 134101638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).