2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

C18H20ClN3O4S — CID 71848285

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O4S/c19-14-4-3-5-15(12-14)21-8-10-22(11-9-21)18(23)13-26-16-6-1-2-7-17(16)27(20,24)25/h1-7,12H,8-11,13H2,(H2,20,24,25)
InChIKeyULKWRJDBAQSXCZ-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.72
Rot. Bonds5

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (PubChem CID 71848285) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
PubChem CID71848285
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O4S/c19-14-4-3-5-15(12-14)21-8-10-22(11-9-21)18(23)13-26-16-6-1-2-7-17(16)27(20,24)25/h1-7,12H,8-11,13H2,(H2,20,24,25)
InChIKeyULKWRJDBAQSXCZ-UHFFFAOYSA-N
XLogP1.72
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 26365760
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone
CID 60610058
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-4-phenylphenoxy]ethanone
CID 118754687
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018392
3-chloro-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 126393741
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203423
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-chloro-2-hydroxybenzoate
CID 7990421
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
CID 109004365

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide (CID 71848285) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is NS(=O)(=O)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The InChIKey is ULKWRJDBAQSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c19-14-4-3-5-15(12-14)21-8-10-22(11-9-21)18(23)13-26-16-6-1-2-7-17(16)27(20,24)25/h1-7,12H,8-11,13H2,(H2,20,24,25).
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide has a molecular weight of 409.90 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 71848285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).