1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine

C14H20ClNO3S — CID 46743857

IUPAC1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyXYSAHOHVMQDHSS-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine

1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine (PubChem CID 46743857) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine
PubChem CID46743857
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyXYSAHOHVMQDHSS-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 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine (CID 46743857) is 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine is CCCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine?
The InChIKey is XYSAHOHVMQDHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine?
1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine 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 1-(4-chlorophenyl)sulfonyl-3-propoxypiperidine is sourced from PubChem (CID 46743857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).