1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine

C14H20ClNO3S — CID 110418188

IUPAC1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-19-11-12-6-5-9-16(10-12)20(17,18)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyULTJPSVSOFKJKY-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine

1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine (PubChem CID 110418188) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
PubChem CID110418188
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
SMILESCCOCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-2-19-11-12-6-5-9-16(10-12)20(17,18)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyULTJPSVSOFKJKY-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
2-[(3R)-3-(ethoxymethyl)piperidin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 95781642
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677753
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110602803
2-[[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67100048

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine (CID 110418188) is 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine is CCOCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine?
The InChIKey is ULTJPSVSOFKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-19-11-12-6-5-9-16(10-12)20(17,18)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine?
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine has a molecular weight of 317.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine is sourced from PubChem (CID 110418188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).