5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine

C15H14F3N3O3S — CID 75502005

IUPAC5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14-4-3-13(9-20-14)25(22,23)21-7-5-12(10-21)24-11-2-1-6-19-8-11/h1-4,6,8-9,12H,5,7,10H2
InChIKeyAJAMVIUHAJIDJE-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.34
Rot. Bonds4

About 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine

5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine (PubChem CID 75502005) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine
PubChem CID75502005
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14-4-3-13(9-20-14)25(22,23)21-7-5-12(10-21)24-11-2-1-6-19-8-11/h1-4,6,8-9,12H,5,7,10H2
InChIKeyAJAMVIUHAJIDJE-UHFFFAOYSA-N
XLogP2.34
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine (CID 75502005) is 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine?
The InChIKey is AJAMVIUHAJIDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)14-4-3-13(9-20-14)25(22,23)21-7-5-12(10-21)24-11-2-1-6-19-8-11/h1-4,6,8-9,12H,5,7,10H2.
What are the key properties of 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine?
5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine has a molecular weight of 373.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 75502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).