2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide

C13H9F3N2S — CID 79522536

IUPAC2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C13H9F3N2S/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)13(17)18/h1-6H,(H3,17,18)
InChIKeyZOUYJYDSXYDONV-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide

2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide (PubChem CID 79522536) has the molecular formula C13H9F3N2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
PubChem CID79522536
Molecular FormulaC13H9F3N2S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C13H9F3N2S/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)13(17)18/h1-6H,(H3,17,18)
InChIKeyZOUYJYDSXYDONV-UHFFFAOYSA-N
XLogP3.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.54
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'}

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Related Compounds

2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide
CID 64593647
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 79517932
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551795
2-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide (CID 79522536) is 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The InChIKey is ZOUYJYDSXYDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2S/c14-7-4-5-10(9(16)6-7)19-11-3-1-2-8(15)12(11)13(17)18/h1-6H,(H3,17,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide has a molecular weight of 282.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79522536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).