1-(4-chlorophenyl)sulfonyl-2-propylpiperidine

C14H20ClNO2S — CID 46884323

IUPAC1-(4-chlorophenyl)sulfonyl-2-propylpiperidine
SMILESCCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-5-13-6-3-4-11-16(13)19(17,18)14-9-7-12(15)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyJATDHOMWHHHPIN-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine

1-(4-chlorophenyl)sulfonyl-2-propylpiperidine (PubChem CID 46884323) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-propylpiperidine
PubChem CID46884323
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-propylpiperidine
SMILESCCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-5-13-6-3-4-11-16(13)19(17,18)14-9-7-12(15)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyJATDHOMWHHHPIN-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine (CID 46884323) is 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine is CCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine?
The InChIKey is JATDHOMWHHHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-5-13-6-3-4-11-16(13)19(17,18)14-9-7-12(15)8-10-14/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine?
1-(4-chlorophenyl)sulfonyl-2-propylpiperidine has a molecular weight of 301.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-propylpiperidine is sourced from PubChem (CID 46884323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).