(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C14H14ClF3N2O5S — CID 102461226

IUPAC(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2=O)cc1Cl)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O5S/c1-13(23,14(16,17)18)12(22)19-10-5-4-8(7-9(10)15)26(24,25)20-6-2-3-11(20)21/h4-5,7,23H,2-3,6H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyJQNRWOZVQDXYMZ-CYBMUJFWSA-N
MW414.79 g/mol
LogP1.90
Rot. Bonds4

About (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 102461226) has the molecular formula C14H14ClF3N2O5S and a molecular weight of 414.79 g/mol. Its IUPAC name is (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID102461226
Molecular FormulaC14H14ClF3N2O5S
Molecular Weight414.79 g/mol
Exact Mass414.03
IUPAC Name(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2=O)cc1Cl)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O5S/c1-13(23,14(16,17)18)12(22)19-10-5-4-8(7-9(10)15)26(24,25)20-6-2-3-11(20)21/h4-5,7,23H,2-3,6H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyJQNRWOZVQDXYMZ-CYBMUJFWSA-N
XLogP1.90
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.79
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 102461226) is (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2=O)cc1Cl)C(F)(F)F.
What is the InChIKey of (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is JQNRWOZVQDXYMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14ClF3N2O5S/c1-13(23,14(16,17)18)12(22)19-10-5-4-8(7-9(10)15)26(24,25)20-6-2-3-11(20)21/h4-5,7,23H,2-3,6H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 414.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 102461226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).