4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

C17H28N2O4S — CID 134007687

IUPAC4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-22-14-15-23-16-6-8-17(9-7-16)24(20,21)18-10-5-13-19-11-3-2-4-12-19/h6-9,18H,2-5,10-15H2,1H3
InChIKeyWHUDGSCCBLHHIH-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.87
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 134007687) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID134007687
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-22-14-15-23-16-6-8-17(9-7-16)24(20,21)18-10-5-13-19-11-3-2-4-12-19/h6-9,18H,2-5,10-15H2,1H3
InChIKeyWHUDGSCCBLHHIH-UHFFFAOYSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-(2-methoxyethoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 30867520
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115747265

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (CID 134007687) is 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is WHUDGSCCBLHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-22-14-15-23-16-6-8-17(9-7-16)24(20,21)18-10-5-13-19-11-3-2-4-12-19/h6-9,18H,2-5,10-15H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 134007687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).