1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine

C18H22N2O3S — CID 669263

IUPAC1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-23-18-10-6-5-9-17(18)19-11-13-20(14-12-19)24(21,22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyWRCKFIFZJXNLMS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.35
Rot. Bonds5

About 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine

1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 669263) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID669263
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-23-18-10-6-5-9-17(18)19-11-13-20(14-12-19)24(21,22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyWRCKFIFZJXNLMS-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 42291255
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
CID 71905539
1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 32673178
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
CID 25328720
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
CID 167833255
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol
CID 173172112
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
4-benzylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539558
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine (CID 669263) is 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is WRCKFIFZJXNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-18-10-6-5-9-17(18)19-11-13-20(14-12-19)24(21,22)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine?
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 346.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 669263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).