4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride

C11H15Cl2NO2S — CID 2761071

IUPAC4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChIKeySJYLTDPLFVFHFC-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.29
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride

4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride (PubChem CID 2761071) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
PubChem CID2761071
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChIKeySJYLTDPLFVFHFC-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride (CID 2761071) is 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride is Cl.O=S(=O)(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride?
The InChIKey is SJYLTDPLFVFHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H.
What are the key properties of 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride?
4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride has a molecular weight of 296.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 2761071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).