1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C21H28N2O6S — CID 998107

IUPAC1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C21H28N2O6S/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyBRBMVZVFOKPOPX-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.23
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 998107) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID998107
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C21H28N2O6S/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyBRBMVZVFOKPOPX-UHFFFAOYSA-N
XLogP2.23
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131702
N-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1150482
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8746367
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
1-methylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366145
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 998107) is 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is BRBMVZVFOKPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 436.53 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 998107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).