N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide

C15H12Cl2FNOS — CID 78656452

IUPACN-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-9(21-13-8-3-2-7-12(13)18)15(20)19-14-10(16)5-4-6-11(14)17/h2-9H,1H3,(H,19,20)
InChIKeyLGRWOGDYTRFUGE-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.25
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide

N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 78656452) has the molecular formula C15H12Cl2FNOS and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
PubChem CID78656452
Molecular FormulaC15H12Cl2FNOS
Molecular Weight344.24 g/mol
Exact Mass343.00
IUPAC NameN-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-9(21-13-8-3-2-7-12(13)18)15(20)19-14-10(16)5-4-6-11(14)17/h2-9H,1H3,(H,19,20)
InChIKeyLGRWOGDYTRFUGE-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977409
(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7761137
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9034173
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
2-bromo-N-(2,6-dichlorophenyl)propanamide
CID 53414281
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide (CID 78656452) is N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide is CC(Sc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is LGRWOGDYTRFUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNOS/c1-9(21-13-8-3-2-7-12(13)18)15(20)19-14-10(16)5-4-6-11(14)17/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 344.24 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 78656452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).