4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride

C15H18ClNO3S — CID 3050822

IUPAC4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl
InChIInChI=1S/C15H17NO3S.ClH/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13;/h3-8,10-11H,2,9,12H2,1H3;1H
InChIKeyLKGQFCFPFRVVFA-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.92
Rot. Bonds6

About 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride

4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride (PubChem CID 3050822) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride
PubChem CID3050822
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl
InChIInChI=1S/C15H17NO3S.ClH/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13;/h3-8,10-11H,2,9,12H2,1H3;1H
InChIKeyLKGQFCFPFRVVFA-UHFFFAOYSA-N
XLogP2.92
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
CID 20735364
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
3-[(4-methoxyphenyl)sulfanyl]-N-(4-pyridinylmethyl)propanamide
CID 2812946
N,N-dimethyl-1-(4-(4-(methylthio)phenoxy)pyridin-3-yl)methanamine
CID 9835259
N,N-dimethyl-1-(4-(3-methyl-4-(methylthio)phenoxy)pyridin-3-yl)methanamine
CID 9965748
4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 22626996
2-chloro-3-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190292
4-[3-[4-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
CID 153404509

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride?
The IUPAC name of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride (CID 3050822) is 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride is CCOc1ccc(S(=O)(=O)CCc2ccncc2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride?
The InChIKey is LKGQFCFPFRVVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S.ClH/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13;/h3-8,10-11H,2,9,12H2,1H3;1H.
What are the key properties of 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride?
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride has a molecular weight of 327.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine;hydrochloride is sourced from PubChem (CID 3050822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).