(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide

C15H12Cl2FNOS — CID 2591448

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-9(21-14-5-3-2-4-12(14)18)15(20)19-13-7-6-10(16)8-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyLCUBMLDEXIVQNK-VIFPVBQESA-N
MW344.24 g/mol
LogP5.25
Rot. Bonds4

About (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide

(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 2591448) has the molecular formula C15H12Cl2FNOS and a molecular weight of 344.24 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
PubChem CID2591448
Molecular FormulaC15H12Cl2FNOS
Molecular Weight344.24 g/mol
Exact Mass343.00
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-9(21-14-5-3-2-4-12(14)18)15(20)19-13-7-6-10(16)8-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyLCUBMLDEXIVQNK-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide (CID 2591448) is (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is LCUBMLDEXIVQNK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12Cl2FNOS/c1-9(21-14-5-3-2-4-12(14)18)15(20)19-13-7-6-10(16)8-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide?
(2S)-N-(2,4-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 (2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 2591448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).