4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine

C15H21ClN2O3S — CID 806639

IUPAC4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H21ClN2O3S/c16-13-1-3-15(4-2-13)22(19,20)18-7-5-14(6-8-18)17-9-11-21-12-10-17/h1-4,14H,5-12H2
InChIKeyBVZVSNGNEPYBCO-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.83
Rot. Bonds3

About 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 806639) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID806639
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H21ClN2O3S/c16-13-1-3-15(4-2-13)22(19,20)18-7-5-14(6-8-18)17-9-11-21-12-10-17/h1-4,14H,5-12H2
InChIKeyBVZVSNGNEPYBCO-UHFFFAOYSA-N
XLogP1.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine (CID 806639) is 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is BVZVSNGNEPYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c16-13-1-3-15(4-2-13)22(19,20)18-7-5-14(6-8-18)17-9-11-21-12-10-17/h1-4,14H,5-12H2.
What are the key properties of 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 344.86 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 806639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).