5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide

C10H10F3N3O3S — CID 168719239

IUPAC5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6-1-7(4-15-3-6)16-5-8(2-9(16)17)20(14,18)19/h1,3-4,8H,2,5H2,(H2,14,18,19)
InChIKeyVWFMPEPGWBKXMT-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.49
Rot. Bonds2

About 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide

5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide (PubChem CID 168719239) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
PubChem CID168719239
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6-1-7(4-15-3-6)16-5-8(2-9(16)17)20(14,18)19/h1,3-4,8H,2,5H2,(H2,14,18,19)
InChIKeyVWFMPEPGWBKXMT-UHFFFAOYSA-N
XLogP0.49
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide (CID 168719239) is 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide?
The InChIKey is VWFMPEPGWBKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c11-10(12,13)6-1-7(4-15-3-6)16-5-8(2-9(16)17)20(14,18)19/h1,3-4,8H,2,5H2,(H2,14,18,19).
What are the key properties of 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide?
5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide has a molecular weight of 309.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).