[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate

C16H14Cl2N4O6S — CID 17020212

IUPAC[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N4O6S/c1-21(29(26,27)14-8-11(17)4-7-13(14)18)9-15(23)28-20-16(19)10-2-5-12(6-3-10)22(24)25/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyZYGNKWSBPPQBGV-UHFFFAOYSA-N
MW461.28 g/mol
LogP2.39
Rot. Bonds7

About [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate

[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 17020212) has the molecular formula C16H14Cl2N4O6S and a molecular weight of 461.28 g/mol. Its IUPAC name is [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate
PubChem CID17020212
Molecular FormulaC16H14Cl2N4O6S
Molecular Weight461.28 g/mol
Exact Mass460.00
IUPAC Name[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N4O6S/c1-21(29(26,27)14-8-11(17)4-7-13(14)18)9-15(23)28-20-16(19)10-2-5-12(6-3-10)22(24)25/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyZYGNKWSBPPQBGV-UHFFFAOYSA-N
XLogP2.39
TPSA145.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]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-(4-nitrophenyl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate
CID 2961086
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
CID 2204314
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] butanoate
CID 19298176
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773
[[amino-(2,4-dichlorophenyl)methylidene]amino] 4-nitrobenzoate
CID 2937034
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 19297987
[[amino-(4-nitrophenyl)methylidene]amino] hydrogen carbonate
CID 91326336
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
[(E)-[amino-(4-nitrophenyl)methylidene]amino] (2S)-2-(3-chlorophenoxy)propanoate
CID 6343568
[[amino-(4-methoxyphenyl)methylidene]amino] 2-[benzenesulfonyl(methyl)amino]acetate
CID 2219895
3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10789615
methyl 2-[(2-methoxy-5-nitrophenyl)sulfonyl-methylamino]acetate
CID 43408385

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate (CID 17020212) is [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is ZYGNKWSBPPQBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O6S/c1-21(29(26,27)14-8-11(17)4-7-13(14)18)9-15(23)28-20-16(19)10-2-5-12(6-3-10)22(24)25/h2-8H,9H2,1H3,(H2,19,20).
What are the key properties of [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate?
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 461.28 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 17020212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).