1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine

C13H13ClFN3O2S2 — CID 60563458

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H13ClFN3O2S2/c14-10-4-5-13(21-10)22(19,20)18-8-6-17(7-9-18)12-3-1-2-11(15)16-12/h1-5H,6-9H2
InChIKeyWSRDEDWKRUCIEJ-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.45
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 60563458) has the molecular formula C13H13ClFN3O2S2 and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
PubChem CID60563458
Molecular FormulaC13H13ClFN3O2S2
Molecular Weight361.85 g/mol
Exact Mass361.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H13ClFN3O2S2/c14-10-4-5-13(21-10)22(19,20)18-8-6-17(7-9-18)12-3-1-2-11(15)16-12/h1-5H,6-9H2
InChIKeyWSRDEDWKRUCIEJ-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine (CID 60563458) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is WSRDEDWKRUCIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S2/c14-10-4-5-13(21-10)22(19,20)18-8-6-17(7-9-18)12-3-1-2-11(15)16-12/h1-5H,6-9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 361.85 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 60563458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).