4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H12ClFN2OS — CID 43094105

IUPAC4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2OS/c15-11-3-1-2-4-13(11)20-8-10-6-5-9(7-12(10)16)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyQVUIRNAGFIDKTG-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.87
Rot. Bonds4

About 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43094105) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43094105
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2OS/c15-11-3-1-2-4-13(11)20-8-10-6-5-9(7-12(10)16)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyQVUIRNAGFIDKTG-UHFFFAOYSA-N
XLogP3.87
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.87
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-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43094105) is 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(CSc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QVUIRNAGFIDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c15-11-3-1-2-4-13(11)20-8-10-6-5-9(7-12(10)16)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 310.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43094105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).