4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H9Cl2FN2OS — CID 43658478

IUPAC4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9Cl2FN2OS/c14-8-2-3-9(15)12(6-8)20-11-4-1-7(5-10(11)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyDATCDGZTNSTAJE-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.38
Rot. Bonds3

About 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658478) has the molecular formula C13H9Cl2FN2OS and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658478
Molecular FormulaC13H9Cl2FN2OS
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9Cl2FN2OS/c14-8-2-3-9(15)12(6-8)20-11-4-1-7(5-10(11)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyDATCDGZTNSTAJE-UHFFFAOYSA-N
XLogP4.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658478) is 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is DATCDGZTNSTAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2OS/c14-8-2-3-9(15)12(6-8)20-11-4-1-7(5-10(11)16)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).