1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine

C12H18FN3O2S — CID 103298994

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H18FN3O2S/c1-2-6-15-7-9-16(10-8-15)19(17,18)12-11(13)4-3-5-14-12/h3-5H,2,6-10H2,1H3
InChIKeyWRHOMNXWQUWJAV-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.94
Rot. Bonds4

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine

1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine (PubChem CID 103298994) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine
PubChem CID103298994
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H18FN3O2S/c1-2-6-15-7-9-16(10-8-15)19(17,18)12-11(13)4-3-5-14-12/h3-5H,2,6-10H2,1H3
InChIKeyWRHOMNXWQUWJAV-UHFFFAOYSA-N
XLogP0.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine 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-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine (CID 103298994) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine?
The InChIKey is WRHOMNXWQUWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-2-6-15-7-9-16(10-8-15)19(17,18)12-11(13)4-3-5-14-12/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine?
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine has a molecular weight of 287.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-propylpiperazine is sourced from PubChem (CID 103298994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).