1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine

C19H22N2O4S — CID 113075406

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-14-3-5-17(15(2)11-14)20-7-9-21(10-8-20)26(22,23)16-4-6-18-19(12-16)25-13-24-18/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRLOBEZYFAAPOKO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.54
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine

1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine (PubChem CID 113075406) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
PubChem CID113075406
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)c(C)c1
InChIInChI=1S/C19H22N2O4S/c1-14-3-5-17(15(2)11-14)20-7-9-21(10-8-20)26(22,23)16-4-6-18-19(12-16)25-13-24-18/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRLOBEZYFAAPOKO-UHFFFAOYSA-N
XLogP2.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649
1-(1,3-benzodioxol-5-yl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 113079658
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
CID 3153760
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-[2-(2,4-dimethylphenyl)-5-methyltriazol-4-yl]methanone
CID 55360151
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
1-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 110817153

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine (CID 113075406) is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)c(C)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine?
The InChIKey is RLOBEZYFAAPOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-3-5-17(15(2)11-14)20-7-9-21(10-8-20)26(22,23)16-4-6-18-19(12-16)25-13-24-18/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine?
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine has a molecular weight of 374.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 113075406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).