5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide

C13H9ClF2N2S — CID 55078669

IUPAC5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2S/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyIIPWSJLDGXRCDF-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.05
Rot. Bonds3

About 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide

5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide (PubChem CID 55078669) has the molecular formula C13H9ClF2N2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
PubChem CID55078669
Molecular FormulaC13H9ClF2N2S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2S/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyIIPWSJLDGXRCDF-UHFFFAOYSA-N
XLogP4.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide 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 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide (CID 55078669) is 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is IIPWSJLDGXRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2S/c14-7-1-4-12(9(5-7)13(17)18)19-8-2-3-10(15)11(16)6-8/h1-6H,(H3,17,18).
What are the key properties of 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide has a molecular weight of 298.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55078669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).