3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C18H14F4N2O4S — CID 123854810

IUPAC3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(N)=O)C(c1ccc(C#N)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O4S/c1-17(26,16(24)25)15(29(27,28)13-6-4-12(19)5-7-13)10-2-3-11(9-23)14(8-10)18(20,21)22/h2-8,15,26H,1H3,(H2,24,25)
InChIKeyAKQKETSXFUCBGV-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.47
Rot. Bonds5

About 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 123854810) has the molecular formula C18H14F4N2O4S and a molecular weight of 430.38 g/mol. Its IUPAC name is 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID123854810
Molecular FormulaC18H14F4N2O4S
Molecular Weight430.38 g/mol
Exact Mass430.06
IUPAC Name3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(N)=O)C(c1ccc(C#N)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O4S/c1-17(26,16(24)25)15(29(27,28)13-6-4-12(19)5-7-13)10-2-3-11(9-23)14(8-10)18(20,21)22/h2-8,15,26H,1H3,(H2,24,25)
InChIKeyAKQKETSXFUCBGV-UHFFFAOYSA-N
XLogP2.47
TPSA121.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 146088281
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-propan-2-ylpropanamide
CID 135213497
4-[[(2R)-2-amino-3-(4-fluorophenyl)sulfonyl-2-methyl-3-oxopropyl]amino]-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 173108250
(2R)-2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 46893554
N-[1-[4-cyano-3-(trifluoromethyl)anilino]-2-methylpropan-2-yl]-4-fluorobenzenesulfonamide
CID 139895089
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
N-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-2-hydroxy-3-propylsulfonylpropyl]-2-hydroxybenzamide
CID 139430931
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-deuterio-2-deuteriooxy-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 25207708
4-[1-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dihydroxy-2-methylbutyl]-2-(trifluoromethyl)benzonitrile
CID 87632748
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11635858
N-(2-amino-2-methylpropyl)-4-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 119988446
2-tert-butylperoxy-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonothioyl-2-methylpropanamide
CID 175589860

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 123854810) is 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CC(O)(C(N)=O)C(c1ccc(C#N)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is AKQKETSXFUCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O4S/c1-17(26,16(24)25)15(29(27,28)13-6-4-12(19)5-7-13)10-2-3-11(9-23)14(8-10)18(20,21)22/h2-8,15,26H,1H3,(H2,24,25).
What are the key properties of 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 430.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 123854810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).