1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

C19H24N2O5S — CID 1201987

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-24-17-7-5-4-6-16(17)20-10-12-21(13-11-20)27(22,23)15-8-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXCDLYQVKMRQWLX-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.22
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 1201987) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID1201987
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-24-17-7-5-4-6-16(17)20-10-12-21(13-11-20)27(22,23)15-8-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXCDLYQVKMRQWLX-UHFFFAOYSA-N
XLogP2.22
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
7-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341329
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 10482055
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-methoxy-5-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperazine
CID 98402108
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 1201987) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is XCDLYQVKMRQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-24-17-7-5-4-6-16(17)20-10-12-21(13-11-20)27(22,23)15-8-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 392.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1201987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).