2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid

C15H18F3NO5S — CID 69323977

IUPAC2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid
SMILESO=C(O)COC(C1CCCCN1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO5S/c16-15(17,18)10-4-3-5-11(8-10)25(22,23)14(24-9-13(20)21)12-6-1-2-7-19-12/h3-5,8,12,14,19H,1-2,6-7,9H2,(H,20,21)
InChIKeyOTUCHZCOOGPXKB-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.05
Rot. Bonds6

About 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid

2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid (PubChem CID 69323977) has the molecular formula C15H18F3NO5S and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid.

Molecular Properties

Compound Name2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid
PubChem CID69323977
Molecular FormulaC15H18F3NO5S
Molecular Weight381.37 g/mol
Exact Mass381.09
IUPAC Name2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid
SMILESO=C(O)COC(C1CCCCN1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO5S/c16-15(17,18)10-4-3-5-11(8-10)25(22,23)14(24-9-13(20)21)12-6-1-2-7-19-12/h3-5,8,12,14,19H,1-2,6-7,9H2,(H,20,21)
InChIKeyOTUCHZCOOGPXKB-UHFFFAOYSA-N
XLogP2.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid?
The IUPAC name of 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid (CID 69323977) is 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid.
What is the SMILES notation for 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid?
The canonical SMILES for 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid is O=C(O)COC(C1CCCCN1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid?
The InChIKey is OTUCHZCOOGPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO5S/c16-15(17,18)10-4-3-5-11(8-10)25(22,23)14(24-9-13(20)21)12-6-1-2-7-19-12/h3-5,8,12,14,19H,1-2,6-7,9H2,(H,20,21).
What are the key properties of 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid?
2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid has a molecular weight of 381.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid is sourced from PubChem (CID 69323977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).