4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

C13H10ClFN2OS — CID 55180231

IUPAC4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2OS/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17)
InChIKeyKTFHIACRTPVNDG-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 55180231) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID55180231
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2OS/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17)
InChIKeyKTFHIACRTPVNDG-UHFFFAOYSA-N
XLogP3.72
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.72
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-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 55180231) is 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1Sc1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is KTFHIACRTPVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c14-8-1-6-11(13(16)17-18)12(7-8)19-10-4-2-9(15)3-5-10/h1-7,18H,(H2,16,17).
What are the key properties of 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 296.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55180231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).