(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide

C15H12ClF2NOS — CID 8740662

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(17)3-6-12)15(20)19-11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyCXHHJCITKSYYKY-VIFPVBQESA-N
MW327.78 g/mol
LogP4.74
Rot. Bonds4

About (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide

(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 8740662) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID8740662
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(17)3-6-12)15(20)19-11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyCXHHJCITKSYYKY-VIFPVBQESA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
2,3,4,5-tetrachloro-6-[[4-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785410
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988625
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7397770
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide (CID 8740662) is (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is CXHHJCITKSYYKY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(17)3-6-12)15(20)19-11-4-7-14(18)13(16)8-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 327.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8740662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).