1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine

C19H22ClNO2S — CID 2818845

IUPAC1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine
SMILESO=S(=O)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c20-17-9-11-18(12-10-17)24(22,23)15-19(16-7-3-1-4-8-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyXZASQGNXHRPOPD-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine

1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine (PubChem CID 2818845) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine
PubChem CID2818845
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine
SMILESO=S(=O)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c20-17-9-11-18(12-10-17)24(22,23)15-19(16-7-3-1-4-8-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyXZASQGNXHRPOPD-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine (CID 2818845) is 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine is O=S(=O)(CC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine?
The InChIKey is XZASQGNXHRPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-17-9-11-18(12-10-17)24(22,23)15-19(16-7-3-1-4-8-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine?
1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine has a molecular weight of 363.91 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonyl-1-phenylethyl]piperidine is sourced from PubChem (CID 2818845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).