1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine

C19H24N2O4S — CID 652055

IUPAC1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O4S/c1-24-17-9-8-16(19(14-17)25-2)15-20-10-12-21(13-11-20)26(22,23)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCAXSNKMSODPZEI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 652055) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID652055
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O4S/c1-24-17-9-8-16(19(14-17)25-2)15-20-10-12-21(13-11-20)26(22,23)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCAXSNKMSODPZEI-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

CID 652054
CID 652054
1-(2,5-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 1122528
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-Benzyl-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 660773
1-Benzyl-4-(2,4-dimethoxybenzyl)piperazine
CID 792721
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
Cambridge id 5430595
CID 783532
4-(4-Benzenesulfonyl-piperazin-1-ylmethyl)-2,6-dimethoxy-phenol
CID 1074782
(4-Methoxyphenyl)(4-(phenylsulfonyl)piperazin-1-yl)methanethione
CID 2146185
1-Benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine
CID 2845444
7-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 3232725

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (CID 652055) is 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is CAXSNKMSODPZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-24-17-9-8-16(19(14-17)25-2)15-20-10-12-21(13-11-20)26(22,23)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine 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-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 652055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).