(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

C13H16F3NO4S — CID 134375051

IUPAC(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@](O)(CO)C1
InChIInChI=1S/C13H16F3NO4S/c1-9-6-10(13(14,15)16)2-3-11(9)22(20,21)17-5-4-12(19,7-17)8-18/h2-3,6,18-19H,4-5,7-8H2,1H3/t12-/m1/s1
InChIKeyQAWRAYXLWOVGSX-GFCCVEGCSA-N
MW339.34 g/mol
LogP1.13
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol

(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 134375051) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID134375051
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC Name(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@](O)(CO)C1
InChIInChI=1S/C13H16F3NO4S/c1-9-6-10(13(14,15)16)2-3-11(9)22(20,21)17-5-4-12(19,7-17)8-18/h2-3,6,18-19H,4-5,7-8H2,1H3/t12-/m1/s1
InChIKeyQAWRAYXLWOVGSX-GFCCVEGCSA-N
XLogP1.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol 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 (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol (CID 134375051) is (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@](O)(CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is QAWRAYXLWOVGSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c1-9-6-10(13(14,15)16)2-3-11(9)22(20,21)17-5-4-12(19,7-17)8-18/h2-3,6,18-19H,4-5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol?
(3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 339.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 134375051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).