2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine

C17H17F3N2O3S — CID 97018212

IUPAC2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-6-16(7-5-13)26(23,24)22-10-8-15(11-22)25-12-14-3-1-2-9-21-14/h1-7,9,15H,8,10-12H2/t15-/m1/s1
InChIKeyOWLQTLZPCBGJFK-OAHLLOKOSA-N
MW386.40 g/mol
LogP3.08
Rot. Bonds5

About 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine

2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine (PubChem CID 97018212) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
PubChem CID97018212
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-6-16(7-5-13)26(23,24)22-10-8-15(11-22)25-12-14-3-1-2-9-21-14/h1-7,9,15H,8,10-12H2/t15-/m1/s1
InChIKeyOWLQTLZPCBGJFK-OAHLLOKOSA-N
XLogP3.08
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine (CID 97018212) is 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine?
The InChIKey is OWLQTLZPCBGJFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-6-16(7-5-13)26(23,24)22-10-8-15(11-22)25-12-14-3-1-2-9-21-14/h1-7,9,15H,8,10-12H2/t15-/m1/s1.
What are the key properties of 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine?
2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine has a molecular weight of 386.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 97018212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).