4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H11Cl2FN2OS — CID 43095804

IUPAC4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FN2OS/c15-10-3-4-11(16)13(6-10)21-7-9-2-1-8(5-12(9)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyFHBRUUPOIAHITB-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.52
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43095804) has the molecular formula C14H11Cl2FN2OS and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43095804
Molecular FormulaC14H11Cl2FN2OS
Molecular Weight345.23 g/mol
Exact Mass344.00
IUPAC Name4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FN2OS/c15-10-3-4-11(16)13(6-10)21-7-9-2-1-8(5-12(9)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyFHBRUUPOIAHITB-UHFFFAOYSA-N
XLogP4.52
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.52
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)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43095804) is 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is FHBRUUPOIAHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2OS/c15-10-3-4-11(16)13(6-10)21-7-9-2-1-8(5-12(9)17)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 345.23 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43095804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).