4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol

C18H20ClNO4S — CID 654602

IUPAC4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-12-10-18(21,11-13-20)14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3
InChIKeyAACNFBWTGDBFJF-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.02
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol

4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol (PubChem CID 654602) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol
PubChem CID654602
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-12-10-18(21,11-13-20)14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3
InChIKeyAACNFBWTGDBFJF-UHFFFAOYSA-N
XLogP3.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol (CID 654602) is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol is COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol?
The InChIKey is AACNFBWTGDBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-24-16-6-8-17(9-7-16)25(22,23)20-12-10-18(21,11-13-20)14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol?
4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol has a molecular weight of 381.88 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 654602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).