1-(3-fluorophenyl)sulfonylpiperazine

C10H13FN2O2S — CID 2106912

IUPAC1-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyFXEGQMAUJUTMRH-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.42
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonylpiperazine

1-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 2106912) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylpiperazine
PubChem CID2106912
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name1-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C10H13FN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyFXEGQMAUJUTMRH-UHFFFAOYSA-N
XLogP0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)sulfonylpiperazine 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)sulfonylpiperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfonylpiperazine (CID 2106912) is 1-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is FXEGQMAUJUTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2.
What are the key properties of 1-(3-fluorophenyl)sulfonylpiperazine?
1-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 244.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2106912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).