Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate

Name: Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₉F₂NO₄S — CID 70754905

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate

SMILESCCOC(=O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F

InChIInChI=1S/C15H19F2NO4S/c1-2-22-15(19)10-12-5-3-4-8-18(12)23(20,21)14-9-11(16)6-7-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3

InChIKeyYVTSMFQITVBBKQ-UHFFFAOYSA-N

MW347.38 g/mol

LogP2.46

Rot. Bonds5

About Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate

Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate (PubChem CID 70754905) has the molecular formula C₁₅H₁₉F₂NO₄S and a molecular weight of 347.38 g/mol. Its IUPAC name is ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate.

Molecular Properties

Compound Name	Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate
PubChem CID	70754905
Molecular Formula	C₁₅H₁₉F₂NO₄S
Molecular Weight	347.38 g/mol
Exact Mass	347.10
IUPAC Name	ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate
SMILES	CCOC(=O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F
InChI	InChI=1S/C15H19F2NO4S/c1-2-22-15(19)10-12-5-3-4-8-18(12)23(20,21)14-9-11(16)6-7-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3
InChIKey	YVTSMFQITVBBKQ-UHFFFAOYSA-N
XLogP	2.46
TPSA	63.68 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.38
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate?

The IUPAC name of Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate (CID 70754905) is ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate.

What is the SMILES notation for Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate?

The canonical SMILES for Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1S(=O)(=O)c1cc(F)ccc1F.

What is the InChIKey of Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate?

The InChIKey is YVTSMFQITVBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4S/c1-2-22-15(19)10-12-5-3-4-8-18(12)23(20,21)14-9-11(16)6-7-13(14)17/h6-7,9,12H,2-5,8,10H2,1H3.

What are the key properties of Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate?

Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate has a molecular weight of 347.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetate is sourced from PubChem (CID 70754905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 70754905 — identifiers, structure, computed properties (public domain)

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