N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide

C23H17Cl2FN2O4S — CID 56646100

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)(CS(=O)(=O)Cc2ccc(F)cc2)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2FN2O4S/c24-18-6-4-17(5-7-18)23(30,14-33(31,32)13-15-1-8-19(26)9-2-15)22(29)28-20-10-3-16(12-27)21(25)11-20/h1-11,30H,13-14H2,(H,28,29)
InChIKeyOGBOEWUFCYJKJM-UHFFFAOYSA-N
MW507.37 g/mol
LogP4.45
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide

N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide (PubChem CID 56646100) has the molecular formula C23H17Cl2FN2O4S and a molecular weight of 507.37 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide
PubChem CID56646100
Molecular FormulaC23H17Cl2FN2O4S
Molecular Weight507.37 g/mol
Exact Mass506.03
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)(CS(=O)(=O)Cc2ccc(F)cc2)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2FN2O4S/c24-18-6-4-17(5-7-18)23(30,14-33(31,32)13-15-1-8-19(26)9-2-15)22(29)28-20-10-3-16(12-27)21(25)11-20/h1-11,30H,13-14H2,(H,28,29)
InChIKeyOGBOEWUFCYJKJM-UHFFFAOYSA-N
XLogP4.45
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 139430925
3-tert-butylsulfonyl-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 71660208
3-tert-butylsulfonyl-2-(4-chlorophenyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 71660091
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 56645908
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640054
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxy-2-methylpropanamide
CID 166772647
(2S)-2-(3-chloro-4-cyanoanilino)-3-(4-fluorophenyl)propanoic acid
CID 67105225
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9368769
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide
CID 25094855
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide (CID 56646100) is N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide is N#Cc1ccc(NC(=O)C(O)(CS(=O)(=O)Cc2ccc(F)cc2)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide?
The InChIKey is OGBOEWUFCYJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O4S/c24-18-6-4-17(5-7-18)23(30,14-33(31,32)13-15-1-8-19(26)9-2-15)22(29)28-20-10-3-16(12-27)21(25)11-20/h1-11,30H,13-14H2,(H,28,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide?
N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide has a molecular weight of 507.37 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide is sourced from PubChem (CID 56646100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).