4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide

C17H22N4O3S — CID 120755301

IUPAC4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c18-25(22,23)16-5-3-15(4-6-16)24-11-10-21-9-8-20-13-17(21)14-2-1-7-19-12-14/h1-7,12,17,20H,8-11,13H2,(H2,18,22,23)
InChIKeyYHIDEJNLQWSPGR-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.75
Rot. Bonds6

About 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide

4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 120755301) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
PubChem CID120755301
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c18-25(22,23)16-5-3-15(4-6-16)24-11-10-21-9-8-20-13-17(21)14-2-1-7-19-12-14/h1-7,12,17,20H,8-11,13H2,(H2,18,22,23)
InChIKeyYHIDEJNLQWSPGR-UHFFFAOYSA-N
XLogP0.75
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120756712
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120763531
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
1-[2-(4-methoxy-2-nitrophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755450
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide (CID 120755301) is 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is YHIDEJNLQWSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-25(22,23)16-5-3-15(4-6-16)24-11-10-21-9-8-20-13-17(21)14-2-1-7-19-12-14/h1-7,12,17,20H,8-11,13H2,(H2,18,22,23).
What are the key properties of 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide?
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 120755301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).