1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine

C18H22N2O4S — CID 113077853

IUPAC1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
SMILESCOc1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-15-8-9-18(24-2)17(14-15)19-10-12-20(13-11-19)25(21,22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyJAAFKBMRBFSDGF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine

1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine (PubChem CID 113077853) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
PubChem CID113077853
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
SMILESCOc1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-23-15-8-9-18(24-2)17(14-15)19-10-12-20(13-11-19)25(21,22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyJAAFKBMRBFSDGF-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
CID 113080654
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46088470
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 46088777
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine (CID 113077853) is 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine is COc1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine?
The InChIKey is JAAFKBMRBFSDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-15-8-9-18(24-2)17(14-15)19-10-12-20(13-11-19)25(21,22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine?
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine has a molecular weight of 362.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine is sourced from PubChem (CID 113077853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).