2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C17H24ClN3O4S — CID 92647753

IUPAC2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-19-8-10-20(11-9-19)17(22)13-25-15-5-4-14(18)12-16(15)26(23,24)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyGMRAUPXQJIKTDH-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 92647753) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID92647753
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-19-8-10-20(11-9-19)17(22)13-25-15-5-4-14(18)12-16(15)26(23,24)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyGMRAUPXQJIKTDH-UHFFFAOYSA-N
XLogP1.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone 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

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 30147219
4-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 60676619
1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
CID 27243935
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(4-chloro-2-methylphenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26381433
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 92647753) is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GMRAUPXQJIKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c1-19-8-10-20(11-9-19)17(22)13-25-15-5-4-14(18)12-16(15)26(23,24)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3.
What are the key properties of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 401.92 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 92647753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).