3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide

C14H12F2N2OS — CID 43519045

IUPAC3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CSc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F2N2OS/c15-11-4-5-12(16)13(7-11)20-8-9-2-1-3-10(6-9)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeySBXDFEKNACYTDD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.35
Rot. Bonds4

About 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide

3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43519045) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43519045
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CSc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F2N2OS/c15-11-4-5-12(16)13(7-11)20-8-9-2-1-3-10(6-9)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeySBXDFEKNACYTDD-UHFFFAOYSA-N
XLogP3.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide 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

3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668464
N'-hydroxy-3-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125833
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
3-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032410
N'-hydroxy-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 106922711
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide
CID 43446126
N'-hydroxy-3-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 76975737
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzoate
CID 79143786
4-chloro-N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 76984999

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide (CID 43519045) is 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(CSc2cc(F)ccc2F)c1.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SBXDFEKNACYTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c15-11-4-5-12(16)13(7-11)20-8-9-2-1-3-10(6-9)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43519045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).