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

C13H10F2N2OS — CID 43345169

IUPAC2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2OS/c14-10-6-5-8(7-11(10)15)19-12-4-2-1-3-9(12)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyHQCMHWUUZNBBNY-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.21
Rot. Bonds3

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

2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 43345169) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID43345169
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2OS/c14-10-6-5-8(7-11(10)15)19-12-4-2-1-3-9(12)13(16)17-18/h1-7,18H,(H2,16,17)
InChIKeyHQCMHWUUZNBBNY-UHFFFAOYSA-N
XLogP3.21
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.21
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 2-(3,4-difluorophenyl)sulfanyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 43345169) is 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is HQCMHWUUZNBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c14-10-6-5-8(7-11(10)15)19-12-4-2-1-3-9(12)13(16)17-18/h1-7,18H,(H2,16,17).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43345169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).