5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine

Name: 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₅BrFN₃O₃S — CID 122259163

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

IUPAC5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine

SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(Oc2ncc(Br)cn2)C1

InChIInChI=1S/C15H15BrFN3O3S/c16-11-8-18-15(19-9-11)23-13-4-2-6-20(10-13)24(21,22)14-5-1-3-12(17)7-14/h1,3,5,7-9,13H,2,4,6,10H2

InChIKeyDJGSJHXEJNJCQB-UHFFFAOYSA-N

MW416.27 g/mol

LogP2.61

Rot. Bonds4

About 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine

5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122259163) has the molecular formula C₁₅H₁₅BrFN₃O₃S and a molecular weight of 416.27 g/mol. Its IUPAC name is 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name	5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID	122259163
Molecular Formula	C₁₅H₁₅BrFN₃O₃S
Molecular Weight	416.27 g/mol
Exact Mass	415.00
IUPAC Name	5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILES	O=S(=O)(c1cccc(F)c1)N1CCCC(Oc2ncc(Br)cn2)C1
InChI	InChI=1S/C15H15BrFN3O3S/c16-11-8-18-15(19-9-11)23-13-4-2-6-20(10-13)24(21,22)14-5-1-3-12(17)7-14/h1,3,5,7-9,13H,2,4,6,10H2
InChIKey	DJGSJHXEJNJCQB-UHFFFAOYSA-N
XLogP	2.61
TPSA	72.39 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.27
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?

The IUPAC name of 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122259163) is 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

What is the SMILES notation for 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?

The canonical SMILES for 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is O=S(=O)(c1cccc(F)c1)N1CCCC(Oc2ncc(Br)cn2)C1.

What is the InChIKey of 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?

The InChIKey is DJGSJHXEJNJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O3S/c16-11-8-18-15(19-9-11)23-13-4-2-6-20(10-13)24(21,22)14-5-1-3-12(17)7-14/h1,3,5,7-9,13H,2,4,6,10H2.

What are the key properties of 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?

5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 416.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122259163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122259163 — identifiers, structure, computed properties (public domain)

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