1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C15H18N2O4S3 — CID 6465212

IUPAC1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2O4S3/c1-13-4-6-14(7-5-13)23(18,19)16-8-10-17(11-9-16)24(20,21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyLPYUFSLISVMLSJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.75
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6465212) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6465212
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2O4S3/c1-13-4-6-14(7-5-13)23(18,19)16-8-10-17(11-9-16)24(20,21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyLPYUFSLISVMLSJ-UHFFFAOYSA-N
XLogP1.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 6465212) is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is LPYUFSLISVMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c1-13-4-6-14(7-5-13)23(18,19)16-8-10-17(11-9-16)24(20,21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 386.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6465212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).