1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine

C18H21ClN2O3S — CID 56764843

IUPAC1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
SMILESO=S(=O)(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-17-8-4-5-9-18(17)20-10-12-21(13-11-20)25(22,23)15-14-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyGKJYOYJQRAPPNC-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine

1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine (PubChem CID 56764843) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
PubChem CID56764843
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
SMILESO=S(=O)(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-17-8-4-5-9-18(17)20-10-12-21(13-11-20)25(22,23)15-14-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyGKJYOYJQRAPPNC-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-(2-chlorophenyl)piperazine
CID 16884222
1-(2,3-dichlorophenyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine
CID 16884391
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
CID 56764845
3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
CID 71806043
3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
CID 122346034
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine (CID 56764843) is 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine is O=S(=O)(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine?
The InChIKey is GKJYOYJQRAPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-17-8-4-5-9-18(17)20-10-12-21(13-11-20)25(22,23)15-14-24-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine?
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine has a molecular weight of 380.90 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine is sourced from PubChem (CID 56764843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).