2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide

C13H9F3N2OS — CID 79522371

IUPAC2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H9F3N2OS/c14-7-4-5-8(15)11(6-7)20-10-3-1-2-9(16)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyWUTPGNBAAUMPHI-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.35
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79522371) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79522371
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H9F3N2OS/c14-7-4-5-8(15)11(6-7)20-10-3-1-2-9(16)12(10)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyWUTPGNBAAUMPHI-UHFFFAOYSA-N
XLogP3.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
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'}

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Related Compounds

2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluoro-N'-hydroxy-6-propan-2-ylsulfanylbenzenecarboximidamide
CID 79522692
2-fluoro-N'-hydroxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 79516971
2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114884290
3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43519045
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79522371) is 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(F)cccc1Sc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is WUTPGNBAAUMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-7-4-5-8(15)11(6-7)20-10-3-1-2-9(16)12(10)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 298.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79522371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).