4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride

C13H20ClNO3S — CID 18538559

IUPAC4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO3S.ClH/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyJAGQLXKHRIPEKD-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.03
Rot. Bonds4

About 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride

4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride (PubChem CID 18538559) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
PubChem CID18538559
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO3S.ClH/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyJAGQLXKHRIPEKD-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)sulfonylpiperidine
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CID 59862358
4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
CID 59862389
4-(4-tert-butylphenyl)sulfonylpiperidine;hydrochloride
CID 18538635
1-butoxy-4-cyclopropylsulfonylbenzene
CID 170120338
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
9-(4-ethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719292
4-piperidin-4-ylsulfonylaniline
CID 67192184
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
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CID 71645560

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride (CID 18538559) is 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride is CCOc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride?
The InChIKey is JAGQLXKHRIPEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S.ClH/c1-2-17-11-3-5-12(6-4-11)18(15,16)13-7-9-14-10-8-13;/h3-6,13-14H,2,7-10H2,1H3;1H.
What are the key properties of 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride?
4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 18538559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).