1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine

C19H24N2O4S — CID 1279364

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)20-10-12-21(13-11-20)26(22,23)17-8-9-18(24-2)19(14-17)25-3/h4-9,14H,10-13H2,1-3H3
InChIKeyHPPHRFFNHMDQCZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.52
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine (PubChem CID 1279364) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
PubChem CID1279364
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)20-10-12-21(13-11-20)26(22,23)17-8-9-18(24-2)19(14-17)25-3/h4-9,14H,10-13H2,1-3H3
InChIKeyHPPHRFFNHMDQCZ-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
CID 113078794
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 27241577
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine (CID 1279364) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The InChIKey is HPPHRFFNHMDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-4-6-16(7-5-15)20-10-12-21(13-11-20)26(22,23)17-8-9-18(24-2)19(14-17)25-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine has a molecular weight of 376.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 1279364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).