4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C15H16ClN3O3S — CID 122260064

IUPAC4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-14(6-4-12)23(20,21)19-9-1-2-13(10-19)22-15-7-8-17-11-18-15/h3-8,11,13H,1-2,9-10H2
InChIKeyJHEGEFMGMXTPML-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.36
Rot. Bonds4

About 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine

4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122260064) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122260064
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-14(6-4-12)23(20,21)19-9-1-2-13(10-19)22-15-7-8-17-11-18-15/h3-8,11,13H,1-2,9-10H2
InChIKeyJHEGEFMGMXTPML-UHFFFAOYSA-N
XLogP2.36
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122260064) is 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is JHEGEFMGMXTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-3-5-14(6-4-12)23(20,21)19-9-1-2-13(10-19)22-15-7-8-17-11-18-15/h3-8,11,13H,1-2,9-10H2.
What are the key properties of 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 353.83 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122260064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).