1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine

C19H24N2O3S — CID 71954698

IUPAC1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-24-18-8-5-9-19(16-18)25(22,23)21-14-12-20(13-15-21)11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyZFDKCBDRHFWEGX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.24
Rot. Bonds6

About 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine

1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 71954698) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID71954698
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-24-18-8-5-9-19(16-18)25(22,23)21-14-12-20(13-15-21)11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyZFDKCBDRHFWEGX-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 112823091
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
methyl 3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoate
CID 31770724
1-benzylsulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412395
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412373
1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 8694199
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46102619
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 8688875
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine (CID 71954698) is 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine is COc1cccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is ZFDKCBDRHFWEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-18-8-5-9-19(16-18)25(22,23)21-14-12-20(13-15-21)11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 71954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).