2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C16H22F3NO3S — CID 11494325

IUPAC2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO3S/c1-3-13-6-4-5-11-20(13)24(22,23)14-9-7-12(8-10-14)15(2,21)16(17,18)19/h7-10,13,21H,3-6,11H2,1-2H3
InChIKeySKHXKYIKYDMMPU-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 11494325) has the molecular formula C16H22F3NO3S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID11494325
Molecular FormulaC16H22F3NO3S
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC Name2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO3S/c1-3-13-6-4-5-11-20(13)24(22,23)14-9-7-12(8-10-14)15(2,21)16(17,18)19/h7-10,13,21H,3-6,11H2,1-2H3
InChIKeySKHXKYIKYDMMPU-UHFFFAOYSA-N
XLogP3.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 11494325) is 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CCC1CCCCN1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SKHXKYIKYDMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3S/c1-3-13-6-4-5-11-20(13)24(22,23)14-9-7-12(8-10-14)15(2,21)16(17,18)19/h7-10,13,21H,3-6,11H2,1-2H3.
What are the key properties of 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 365.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 11494325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).