[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol

C14H20ClNO3S — CID 51080705

IUPAC[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol
SMILESO=S(=O)(CCN1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3S/c15-13-1-3-14(4-2-13)20(18,19)10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2
InChIKeyPXYAJEVLSHUOMA-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.82
Rot. Bonds5

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

[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol (PubChem CID 51080705) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol
PubChem CID51080705
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol
SMILESO=S(=O)(CCN1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3S/c15-13-1-3-14(4-2-13)20(18,19)10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2
InChIKeyPXYAJEVLSHUOMA-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.82
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-yl]methanol?
The IUPAC name of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol (CID 51080705) is [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol is O=S(=O)(CCN1CCC(CO)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol?
The InChIKey is PXYAJEVLSHUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c15-13-1-3-14(4-2-13)20(18,19)10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2.
What are the key properties of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol?
[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-yl]methanol has a molecular weight of 317.84 g/mol, XLogP of 1.82, 5 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-yl]methanol is sourced from PubChem (CID 51080705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).