4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

C22H30ClN3O3S — CID 55565091

IUPAC4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCC(c1ccccc1Cl)N1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C22H30ClN3O3S/c1-18(21-6-4-5-7-22(21)23)26-14-12-25(13-15-26)16-17-29-19-8-10-20(11-9-19)30(27,28)24(2)3/h4-11,18H,12-17H2,1-3H3
InChIKeyWMBGIGMIUHGDTP-UHFFFAOYSA-N
MW452.02 g/mol
LogP3.35
Rot. Bonds8

About 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 55565091) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID55565091
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC Name4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCC(c1ccccc1Cl)N1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C22H30ClN3O3S/c1-18(21-6-4-5-7-22(21)23)26-14-12-25(13-15-26)16-17-29-19-8-10-20(11-9-19)30(27,28)24(2)3/h4-11,18H,12-17H2,1-3H3
InChIKeyWMBGIGMIUHGDTP-UHFFFAOYSA-N
XLogP3.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
CID 55626277
4-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 38518687
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55682227
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 55565091) is 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is CC(c1ccccc1Cl)N1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WMBGIGMIUHGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S/c1-18(21-6-4-5-7-22(21)23)26-14-12-25(13-15-26)16-17-29-19-8-10-20(11-9-19)30(27,28)24(2)3/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 452.02 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).