(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

C19H14F6N2O4S — CID 155557872

IUPAC(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O4S/c1-17(29,10-32(30,31)14-6-3-12(4-7-14)18(20,21)22)16(28)27-13-5-2-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1
InChIKeyJPMBMSPLKLDOCP-KRWDZBQOSA-N
MW480.39 g/mol
LogP3.76
Rot. Bonds5

About (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 155557872) has the molecular formula C19H14F6N2O4S and a molecular weight of 480.39 g/mol. Its IUPAC name is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID155557872
Molecular FormulaC19H14F6N2O4S
Molecular Weight480.39 g/mol
Exact Mass480.06
IUPAC Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O4S/c1-17(29,10-32(30,31)14-6-3-12(4-7-14)18(20,21)22)16(28)27-13-5-2-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1
InChIKeyJPMBMSPLKLDOCP-KRWDZBQOSA-N
XLogP3.76
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 155557872) is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is C[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is JPMBMSPLKLDOCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F6N2O4S/c1-17(29,10-32(30,31)14-6-3-12(4-7-14)18(20,21)22)16(28)27-13-5-2-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)/t17-/m0/s1.
What are the key properties of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 480.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 155557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).