1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride

C8H12BrClN2O2S2 — CID 71636325

IUPAC1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-5-3-10-4-6-11;/h1-2,10H,3-6H2;1H
InChIKeyXTXRMAMXAZDFBT-UHFFFAOYSA-N
MW347.69 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride

1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride (PubChem CID 71636325) has the molecular formula C8H12BrClN2O2S2 and a molecular weight of 347.69 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
PubChem CID71636325
Molecular FormulaC8H12BrClN2O2S2
Molecular Weight347.69 g/mol
Exact Mass345.92
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-5-3-10-4-6-11;/h1-2,10H,3-6H2;1H
InChIKeyXTXRMAMXAZDFBT-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride 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-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride (CID 71636325) is 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Br)s1)N1CCNCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is XTXRMAMXAZDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S2.ClH/c9-7-1-2-8(14-7)15(12,13)11-5-3-10-4-6-11;/h1-2,10H,3-6H2;1H.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride?
1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 347.69 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 71636325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).