N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C20H26N2O4S — CID 18137019

IUPACN-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-25-18-7-9-19(10-8-18)26-16-15-22-13-11-17(12-14-22)21-27(23,24)20-5-3-2-4-6-20/h2-10,17,21H,11-16H2,1H3
InChIKeyOTIWPVXIZKPGDT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.52
Rot. Bonds8

About N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 18137019) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID18137019
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-25-18-7-9-19(10-8-18)26-16-15-22-13-11-17(12-14-22)21-27(23,24)20-5-3-2-4-6-20/h2-10,17,21H,11-16H2,1H3
InChIKeyOTIWPVXIZKPGDT-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 10206738
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 10115587
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 18137019) is N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is OTIWPVXIZKPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-25-18-7-9-19(10-8-18)26-16-15-22-13-11-17(12-14-22)21-27(23,24)20-5-3-2-4-6-20/h2-10,17,21H,11-16H2,1H3.
What are the key properties of N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 18137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).