1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

C15H17FN2O2S2 — CID 4768672

IUPAC1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-4-1-3-13(11-14)12-17-6-8-18(9-7-17)22(19,20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyYDLKFSPCKQZJFO-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.39
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 4768672) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID4768672
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC Name1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-4-1-3-13(11-14)12-17-6-8-18(9-7-17)22(19,20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyYDLKFSPCKQZJFO-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine 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-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine (CID 4768672) is 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is YDLKFSPCKQZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c16-14-4-1-3-13(11-14)12-17-6-8-18(9-7-17)22(19,20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 340.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 4768672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).