4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide

C14H22N2O4S — CID 63321022

IUPAC4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O4S/c1-19-9-10-20-13-4-6-14(7-5-13)21(17,18)16-12-3-2-8-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3
InChIKeyYPCDSIVINJKSCT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide

4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63321022) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63321022
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O4S/c1-19-9-10-20-13-4-6-14(7-5-13)21(17,18)16-12-3-2-8-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3
InChIKeyYPCDSIVINJKSCT-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide (CID 63321022) is 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is YPCDSIVINJKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-9-10-20-13-4-6-14(7-5-13)21(17,18)16-12-3-2-8-15-11-12/h4-7,12,15-16H,2-3,8-11H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide?
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63321022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).