1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone

C16H16F2N2O3S2 — CID 8933943

IUPAC1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H16F2N2O3S2/c17-14-4-3-13(11-15(14)18)25(22,23)20-7-5-19(6-8-20)16(21)10-12-2-1-9-24-12/h1-4,9,11H,5-8,10H2
InChIKeyXZBUMBDQOLUQSY-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 8933943) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID8933943
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H16F2N2O3S2/c17-14-4-3-13(11-15(14)18)25(22,23)20-7-5-19(6-8-20)16(21)10-12-2-1-9-24-12/h1-4,9,11H,5-8,10H2
InChIKeyXZBUMBDQOLUQSY-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone (CID 8933943) is 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is XZBUMBDQOLUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-14-4-3-13(11-15(14)18)25(22,23)20-7-5-19(6-8-20)16(21)10-12-2-1-9-24-12/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 386.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 8933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).