1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine

C13H14BrN3O2S2 — CID 2942845

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H14BrN3O2S2/c14-11-4-5-13(20-11)21(18,19)17-9-7-16(8-10-17)12-3-1-2-6-15-12/h1-6H,7-10H2
InChIKeyWSODDEKYTDKRJK-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.42
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 2942845) has the molecular formula C13H14BrN3O2S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID2942845
Molecular FormulaC13H14BrN3O2S2
Molecular Weight388.31 g/mol
Exact Mass386.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H14BrN3O2S2/c14-11-4-5-13(20-11)21(18,19)17-9-7-16(8-10-17)12-3-1-2-6-15-12/h1-6H,7-10H2
InChIKeyWSODDEKYTDKRJK-UHFFFAOYSA-N
XLogP2.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine (CID 2942845) is 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine is O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is WSODDEKYTDKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S2/c14-11-4-5-13(20-11)21(18,19)17-9-7-16(8-10-17)12-3-1-2-6-15-12/h1-6H,7-10H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 388.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2942845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).