4-(3-chlorophenoxy)-1-propylsulfonylpiperidine

C14H20ClNO3S — CID 110358892

IUPAC4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-20(17,18)16-8-6-13(7-9-16)19-14-5-3-4-12(15)11-14/h3-5,11,13H,2,6-10H2,1H3
InChIKeyAHKGNUGTGNGFKF-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.92
Rot. Bonds5

About 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine

4-(3-chlorophenoxy)-1-propylsulfonylpiperidine (PubChem CID 110358892) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
PubChem CID110358892
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-20(17,18)16-8-6-13(7-9-16)19-14-5-3-4-12(15)11-14/h3-5,11,13H,2,6-10H2,1H3
InChIKeyAHKGNUGTGNGFKF-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine?
The IUPAC name of 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine (CID 110358892) is 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine?
The InChIKey is AHKGNUGTGNGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-10-20(17,18)16-8-6-13(7-9-16)19-14-5-3-4-12(15)11-14/h3-5,11,13H,2,6-10H2,1H3.
What are the key properties of 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine?
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine has a molecular weight of 317.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-propylsulfonylpiperidine is sourced from PubChem (CID 110358892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).