4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C18H21BrFN5O3S — CID 134147256

IUPAC4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C18H21BrFN5O3S/c19-16-13-21-18(24-9-11-28-12-10-24)22-17(16)23-5-7-25(8-6-23)29(26,27)15-3-1-14(20)2-4-15/h1-4,13H,5-12H2
InChIKeyZJQUMHITCXEISP-UHFFFAOYSA-N
MW486.37 g/mol
LogP1.73
Rot. Bonds4

About 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 134147256) has the molecular formula C18H21BrFN5O3S and a molecular weight of 486.37 g/mol. Its IUPAC name is 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID134147256
Molecular FormulaC18H21BrFN5O3S
Molecular Weight486.37 g/mol
Exact Mass485.05
IUPAC Name4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C18H21BrFN5O3S/c19-16-13-21-18(24-9-11-28-12-10-24)22-17(16)23-5-7-25(8-6-23)29(26,27)15-3-1-14(20)2-4-15/h1-4,13H,5-12H2
InChIKeyZJQUMHITCXEISP-UHFFFAOYSA-N
XLogP1.73
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-Bromo-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134131924
4-[5-Bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134148351
4-[5-Bromo-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134148385
4-[3-(4-Pyrimidin-2-yl-piperazine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 653496
5-Bromo-2-chloro-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 134131688
4-[4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 134141669
4-[5-Bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134143363
4-[5-Bromo-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134144611
4-[5-Bromo-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134145509
3-fluoro-N-(2-morpholinopyrimidin-5-yl)benzenesulfonamide
CID 71790208
4-(4-((2-Fluorophenyl)sulfonyl)piperazin-1-yl)-5-methylpyrimidine
CID 71795082
5-fluoro-2-methyl-N-((4-morpholinopyrimidin-2-yl)methyl)benzenesulfonamide
CID 76147918

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 134147256) is 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1.
What is the InChIKey of 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ZJQUMHITCXEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN5O3S/c19-16-13-21-18(24-9-11-28-12-10-24)22-17(16)23-5-7-25(8-6-23)29(26,27)15-3-1-14(20)2-4-15/h1-4,13H,5-12H2.
What are the key properties of 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 486.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134147256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).