[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol

C13H16F3NO3S — CID 102786404

IUPAC[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1CO
InChIInChI=1S/C13H16F3NO3S/c1-9-6-7-17(12(9)8-18)21(19,20)11-4-2-10(3-5-11)13(14,15)16/h2-5,9,12,18H,6-8H2,1H3
InChIKeyRQSFQTGGGOKWKN-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.10
Rot. Bonds3

About [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol

[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 102786404) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID102786404
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1CO
InChIInChI=1S/C13H16F3NO3S/c1-9-6-7-17(12(9)8-18)21(19,20)11-4-2-10(3-5-11)13(14,15)16/h2-5,9,12,18H,6-8H2,1H3
InChIKeyRQSFQTGGGOKWKN-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 102786404) is [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1CO.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is RQSFQTGGGOKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-9-6-7-17(12(9)8-18)21(19,20)11-4-2-10(3-5-11)13(14,15)16/h2-5,9,12,18H,6-8H2,1H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol?
[3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 323.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).