2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C15H12FN3O4S — CID 135582572

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12FN3O4S/c16-12-3-1-2-4-14(12)24-9-15(21)18-17-8-10-7-11(19(22)23)5-6-13(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-
InChIKeyFRGPFQXPYVZISV-IUXPMGMMSA-N
MW349.34 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135582572) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135582572
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12FN3O4S/c16-12-3-1-2-4-14(12)24-9-15(21)18-17-8-10-7-11(19(22)23)5-6-13(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-
InChIKeyFRGPFQXPYVZISV-IUXPMGMMSA-N
XLogP2.68
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide 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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135659003
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3833766
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
3-fluoro-N-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4195125
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135683234
2-(benzimidazol-1-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135718335
2-(benzotriazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3565690

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135582572) is 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(CSc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is FRGPFQXPYVZISV-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c16-12-3-1-2-4-14(12)24-9-15(21)18-17-8-10-7-11(19(22)23)5-6-13(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 349.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).