1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine

C18H21ClN2O3S — CID 8757842

IUPAC1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-16-5-4-8-18(15-16)25(22,23)21-11-9-20(10-12-21)13-14-24-17-6-2-1-3-7-17/h1-8,15H,9-14H2
InChIKeySBABGCWNTJJTDK-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.73
Rot. Bonds6

About 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine

1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine (PubChem CID 8757842) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
PubChem CID8757842
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-16-5-4-8-18(15-16)25(22,23)21-11-9-20(10-12-21)13-14-24-17-6-2-1-3-7-17/h1-8,15H,9-14H2
InChIKeySBABGCWNTJJTDK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 18082849
3-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9301114
4-chloro-2-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34041069
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196
1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
CID 71691327
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine (CID 8757842) is 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine is O=S(=O)(c1cccc(Cl)c1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The InChIKey is SBABGCWNTJJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-16-5-4-8-18(15-16)25(22,23)21-11-9-20(10-12-21)13-14-24-17-6-2-1-3-7-17/h1-8,15H,9-14H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine has a molecular weight of 380.90 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 8757842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).