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

C15H15BrFN3O3S — CID 122259163

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 Name5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122259163
Molecular FormulaC15H15BrFN3O3S
Molecular Weight416.27 g/mol
Exact Mass415.00
IUPAC Name5-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
XLogP2.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259198
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 122259149
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 122267264

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).