3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide

C10H12F2N2OS — CID 76883620

IUPAC3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Sc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-6(4-10(13)14-15)16-9-3-2-7(11)5-8(9)12/h2-3,5-6,15H,4H2,1H3,(H2,13,14)
InChIKeyZIFGQACOLLNCIF-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.58
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide

3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide (PubChem CID 76883620) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
PubChem CID76883620
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Sc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-6(4-10(13)14-15)16-9-3-2-7(11)5-8(9)12/h2-3,5-6,15H,4H2,1H3,(H2,13,14)
InChIKeyZIFGQACOLLNCIF-UHFFFAOYSA-N
XLogP2.58
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': '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

(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
2-butan-2-ylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004102
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylbutanimidamide
CID 54944999
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
2-(2,4-difluorophenyl)sulfanylbutanamide
CID 62899928
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
N-[2-(2,4-difluorophenyl)sulfanylpropyl]butan-2-amine
CID 55092288
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(2,4-difluorophenyl)-1-methylurea
CID 76987456
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide (CID 76883620) is 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide is CC(CC(N)=NO)Sc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The InChIKey is ZIFGQACOLLNCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-6(4-10(13)14-15)16-9-3-2-7(11)5-8(9)12/h2-3,5-6,15H,4H2,1H3,(H2,13,14).
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide has a molecular weight of 246.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 76883620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).