3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide

C11H15F3N4O2S — CID 122298377

IUPAC3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)3-6-21(19,20)17-9-7-15-10(16-8-9)18-4-1-2-5-18/h7-8,17H,1-6H2
InChIKeyBKPDQUXQFXCVHN-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.77
Rot. Bonds5

About 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide

3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide (PubChem CID 122298377) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide
PubChem CID122298377
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)3-6-21(19,20)17-9-7-15-10(16-8-9)18-4-1-2-5-18/h7-8,17H,1-6H2
InChIKeyBKPDQUXQFXCVHN-UHFFFAOYSA-N
XLogP1.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide (CID 122298377) is 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide?
The InChIKey is BKPDQUXQFXCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c12-11(13,14)3-6-21(19,20)17-9-7-15-10(16-8-9)18-4-1-2-5-18/h7-8,17H,1-6H2.
What are the key properties of 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide has a molecular weight of 324.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 122298377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).