4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide

C10H12F2N2OS — CID 43167562

IUPAC4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESN/C(CCCSc1ccc(F)cc1F)=N\O
InChIInChI=1S/C10H12F2N2OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(13)14-15/h3-4,6,15H,1-2,5H2,(H2,13,14)
InChIKeyIPLBJNBVYWIMGV-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.58
Rot. Bonds5

About 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide

4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide (PubChem CID 43167562) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
PubChem CID43167562
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESN/C(CCCSc1ccc(F)cc1F)=N\O
InChIInChI=1S/C10H12F2N2OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(13)14-15/h3-4,6,15H,1-2,5H2,(H2,13,14)
InChIKeyIPLBJNBVYWIMGV-UHFFFAOYSA-N
XLogP2.58
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide (CID 43167562) is 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide is N/C(CCCSc1ccc(F)cc1F)=N\O.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The InChIKey is IPLBJNBVYWIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(13)14-15/h3-4,6,15H,1-2,5H2,(H2,13,14).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide has a molecular weight of 246.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 43167562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).