4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine

C20H26N2O2S — CID 19682975

IUPAC4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2C)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-5-8-19(9-6-15)22-12-11-21(14-18(22)4)25(23,24)20-10-7-16(2)17(3)13-20/h5-10,13,18H,11-12,14H2,1-4H3
InChIKeySZNRHBGTRBRDTB-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.51
Rot. Bonds3

About 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine

4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (PubChem CID 19682975) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
PubChem CID19682975
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2C)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-5-8-19(9-6-15)22-12-11-21(14-18(22)4)25(23,24)20-10-7-16(2)17(3)13-20/h5-10,13,18H,11-12,14H2,1-4H3
InChIKeySZNRHBGTRBRDTB-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 5154775
4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
CID 110707659
1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
cyclobutyl-[5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 20853279
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
4-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-1-phenylpiperazine
CID 110658063
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (CID 19682975) is 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2C)cc1.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The InChIKey is SZNRHBGTRBRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-5-8-19(9-6-15)22-12-11-21(14-18(22)4)25(23,24)20-10-7-16(2)17(3)13-20/h5-10,13,18H,11-12,14H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine has a molecular weight of 358.51 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is sourced from PubChem (CID 19682975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).