2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine

C15H20F3NO3S — CID 142809266

IUPAC2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
SMILESCCCc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCCC1C
InChIInChI=1S/C15H20F3NO3S/c1-3-6-12-8-4-9-13(22-15(16,17)18)14(12)23(20,21)19-10-5-7-11(19)2/h4,8-9,11H,3,5-7,10H2,1-2H3
InChIKeyAIJFFNWJQOIKFO-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine

2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine (PubChem CID 142809266) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
PubChem CID142809266
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC Name2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
SMILESCCCc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCCC1C
InChIInChI=1S/C15H20F3NO3S/c1-3-6-12-8-4-9-13(22-15(16,17)18)14(12)23(20,21)19-10-5-7-11(19)2/h4,8-9,11H,3,5-7,10H2,1-2H3
InChIKeyAIJFFNWJQOIKFO-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine?
The IUPAC name of 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine (CID 142809266) is 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine is CCCc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine?
The InChIKey is AIJFFNWJQOIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-3-6-12-8-4-9-13(22-15(16,17)18)14(12)23(20,21)19-10-5-7-11(19)2/h4,8-9,11H,3,5-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine?
2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine has a molecular weight of 351.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-propyl-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 142809266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).