4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide

C13H8F4N2S — CID 81294523

IUPAC4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C13H8F4N2S/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19)
InChIKeyRDIGWZMIVYWSPQ-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.68
Rot. Bonds3

About 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide

4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide (PubChem CID 81294523) has the molecular formula C13H8F4N2S and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
PubChem CID81294523
Molecular FormulaC13H8F4N2S
Molecular Weight300.28 g/mol
Exact Mass300.03
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C13H8F4N2S/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19)
InChIKeyRDIGWZMIVYWSPQ-UHFFFAOYSA-N
XLogP3.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.68
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

4-[(3,4-difluorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 43345183
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorobenzenecarboximidamide
CID 114790509
3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515913
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
3,5-difluoro-4-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 81285962
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293880
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzonitrile
CID 81283065

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide (CID 81294523) is 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The InChIKey is RDIGWZMIVYWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2S/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19).
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide?
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide has a molecular weight of 300.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81294523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).