2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride

C14H23ClN2O3S — CID 154911253

IUPAC2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
SMILESCc1ccc(OCCS(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12-2-4-14(5-3-12)19-10-11-20(17,18)16-13-6-8-15-9-7-13;/h2-5,13,15-16H,6-11H2,1H3;1H
InChIKeyZACONRDQIXMTMH-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.47
Rot. Bonds6

About 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride

2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride (PubChem CID 154911253) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
PubChem CID154911253
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
SMILESCc1ccc(OCCS(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12-2-4-14(5-3-12)19-10-11-20(17,18)16-13-6-8-15-9-7-13;/h2-5,13,15-16H,6-11H2,1H3;1H
InChIKeyZACONRDQIXMTMH-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
CID 82181339
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106181130
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The IUPAC name of 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride (CID 154911253) is 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride is Cc1ccc(OCCS(=O)(=O)NC2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The InChIKey is ZACONRDQIXMTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-12-2-4-14(5-3-12)19-10-11-20(17,18)16-13-6-8-15-9-7-13;/h2-5,13,15-16H,6-11H2,1H3;1H.
What are the key properties of 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride?
2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 154911253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).