4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine

C19H23ClFN5O2S — CID 122344247

IUPAC4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H23ClFN5O2S/c20-16-14-15(4-5-17(16)21)29(27,28)26-12-10-24(11-13-26)18-6-7-22-19(23-18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2
InChIKeyYTQWITJXEFRFAJ-UHFFFAOYSA-N
MW439.94 g/mol
LogP2.77
Rot. Bonds4

About 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine

4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine (PubChem CID 122344247) has the molecular formula C19H23ClFN5O2S and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
PubChem CID122344247
Molecular FormulaC19H23ClFN5O2S
Molecular Weight439.94 g/mol
Exact Mass439.12
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H23ClFN5O2S/c20-16-14-15(4-5-17(16)21)29(27,28)26-12-10-24(11-13-26)18-6-7-22-19(23-18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2
InChIKeyYTQWITJXEFRFAJ-UHFFFAOYSA-N
XLogP2.77
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 70703577
2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
CID 122344254
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343946
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46082049
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959
2-pyrrolidin-1-yl-4-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921428
2-pyrrolidin-1-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122343717
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine (CID 122344247) is 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine?
The InChIKey is YTQWITJXEFRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN5O2S/c20-16-14-15(4-5-17(16)21)29(27,28)26-12-10-24(11-13-26)18-6-7-22-19(23-18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2.
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine?
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine has a molecular weight of 439.94 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 122344247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).