1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol

C13H18ClNO3S — CID 29440148

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
SMILESO=S(=O)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-1-3-13(4-2-11)19(17,18)10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2
InChIKeyISPWFVMXXLCDRI-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol

1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol (PubChem CID 29440148) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
PubChem CID29440148
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
SMILESO=S(=O)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-1-3-13(4-2-11)19(17,18)10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2
InChIKeyISPWFVMXXLCDRI-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol (CID 29440148) is 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol is O=S(=O)(CCN1CCC(O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol?
The InChIKey is ISPWFVMXXLCDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-1-3-13(4-2-11)19(17,18)10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol?
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol has a molecular weight of 303.81 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol is sourced from PubChem (CID 29440148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).