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

C13H9ClF2N2S — CID 55180228

IUPAC4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2S/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyGYOAESUANIBGQV-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide (PubChem CID 55180228) has the molecular formula C13H9ClF2N2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
PubChem CID55180228
Molecular FormulaC13H9ClF2N2S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2S/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-10(15)11(16)6-8/h1-6H,(H3,17,18)
InChIKeyGYOAESUANIBGQV-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'}

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Related Compounds

4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzoic acid
CID 63083044
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515913
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzenecarboximidamide
CID 63092185
4-chloro-2-(2,3-dihydroxypropylsulfanyl)benzenecarboximidamide
CID 79683366
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 66104275
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide (CID 55180228) is 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is GYOAESUANIBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2S/c14-7-1-3-9(13(17)18)12(5-7)19-8-2-4-10(15)11(16)6-8/h1-6H,(H3,17,18).
What are the key properties of 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide?
4-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 4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55180228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).