(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide

C16H14ClF2NO2S — CID 95169378

IUPAC(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c1-10(16(21)20-15-8-3-2-6-14(15)19)23(22)9-11-12(17)5-4-7-13(11)18/h2-8,10H,9H2,1H3,(H,20,21)/t10-,23+/m0/s1
InChIKeyWKOKUNUKFHUVQH-SDWAUSNYSA-N
MW357.81 g/mol
LogP3.89
Rot. Bonds5

About (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide

(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide (PubChem CID 95169378) has the molecular formula C16H14ClF2NO2S and a molecular weight of 357.81 g/mol. Its IUPAC name is (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
PubChem CID95169378
Molecular FormulaC16H14ClF2NO2S
Molecular Weight357.81 g/mol
Exact Mass357.04
IUPAC Name(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c1-10(16(21)20-15-8-3-2-6-14(15)19)23(22)9-11-12(17)5-4-7-13(11)18/h2-8,10H,9H2,1H3,(H,20,21)/t10-,23+/m0/s1
InChIKeyWKOKUNUKFHUVQH-SDWAUSNYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718260
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
CID 95571898
2-[(2,6-dichlorophenyl)methylsulfinyl]propanoic acid
CID 60982347
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide (CID 95169378) is (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide is C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide?
The InChIKey is WKOKUNUKFHUVQH-SDWAUSNYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2S/c1-10(16(21)20-15-8-3-2-6-14(15)19)23(22)9-11-12(17)5-4-7-13(11)18/h2-8,10H,9H2,1H3,(H,20,21)/t10-,23+/m0/s1.
What are the key properties of (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide?
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide has a molecular weight of 357.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 95169378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).