[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C16H18N2O3S2 — CID 1148082

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyWFWXHZXQMCWTTH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.20
Rot. Bonds3

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1148082) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1148082
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyWFWXHZXQMCWTTH-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 1148082) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WFWXHZXQMCWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1148082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).