1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

C19H24N2O4S — CID 1131760

IUPAC1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-24-17-6-8-19(9-7-17)26(22,23)21-12-10-20(11-13-21)15-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHHTJEQCREKJCNV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1131760) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID1131760
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-24-17-6-8-19(9-7-17)26(22,23)21-12-10-20(11-13-21)15-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHHTJEQCREKJCNV-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
N-hydroxy-2-[(4-methoxybenzene)[(3-methoxyphenyl)methyl]sulfonamido]acetamide
CID 10714796
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
4-Cyclohexyl-1-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-2-methyl-piperazine
CID 15463387
(2R)-4-cyclohexyl-1-[(1R)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]-2-methylpiperazine
CID 15463388
1-Benzyl-4-(3-methoxybenzyl)piperazine
CID 763622
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-piperazine
CID 44312451
4-Cyclohexyl-1-[4-(4-methoxy-benzenesulfonyl)-benzyl]-2-methyl-piperazine
CID 44378810
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-2-methyl-piperazine
CID 44378811
(2R)-1-cyclohexyl-4-[(1R)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]-2-methylpiperazine
CID 44378846
6,7-Dimethoxy-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
CID 1072691

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 1131760) is 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is HHTJEQCREKJCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-24-17-6-8-19(9-7-17)26(22,23)21-12-10-20(11-13-21)15-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 376.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1131760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).