[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C17H20N2O3S2 — CID 1262770

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGFLLKPJXRSRDRZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.51
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1262770) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1262770
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGFLLKPJXRSRDRZ-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 1262770) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GFLLKPJXRSRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-5-6-15(12-14(13)2)24(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).