N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide

C21H29N3O3S — CID 127027386

IUPACN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-17(2)20-7-3-4-8-21(20)27-15-14-24-12-9-18(10-13-24)23-28(25,26)19-6-5-11-22-16-19/h3-8,11,16-18,23H,9-10,12-15H2,1-2H3
InChIKeyQYOXIJBAXSXVOY-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.03
Rot. Bonds8

About N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide

N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide (PubChem CID 127027386) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
PubChem CID127027386
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-17(2)20-7-3-4-8-21(20)27-15-14-24-12-9-18(10-13-24)23-28(25,26)19-6-5-11-22-16-19/h3-8,11,16-18,23H,9-10,12-15H2,1-2H3
InChIKeyQYOXIJBAXSXVOY-UHFFFAOYSA-N
XLogP3.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide (CID 127027386) is N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide is CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The InChIKey is QYOXIJBAXSXVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-17(2)20-7-3-4-8-21(20)27-15-14-24-12-9-18(10-13-24)23-28(25,26)19-6-5-11-22-16-19/h3-8,11,16-18,23H,9-10,12-15H2,1-2H3.
What are the key properties of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide has a molecular weight of 403.55 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 127027386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).