(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

C15H13ClFNOS — CID 2498847

IUPAC(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESC[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13ClFNOS/c1-10(20-14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHAUPLJRQVJVFPC-JTQLQIEISA-N
MW309.79 g/mol
LogP4.60
Rot. Bonds4

About (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 2498847) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID2498847
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC Name(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESC[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13ClFNOS/c1-10(20-14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHAUPLJRQVJVFPC-JTQLQIEISA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7761137
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate
CID 29352832
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 41037714
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-fluorophenyl)propanamide
CID 42942830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (CID 2498847) is (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide is C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is HAUPLJRQVJVFPC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-10(20-14-9-5-2-6-11(14)16)15(19)18-13-8-4-3-7-12(13)17/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 309.79 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 2498847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).