1-(4-bromo-2-chlorophenyl)sulfonylpiperazine

C10H12BrClN2O2S — CID 2405262

IUPAC1-(4-bromo-2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H12BrClN2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyVGNMMLAYLPUGHF-UHFFFAOYSA-N
MW339.64 g/mol
LogP1.70
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine

1-(4-bromo-2-chlorophenyl)sulfonylpiperazine (PubChem CID 2405262) has the molecular formula C10H12BrClN2O2S and a molecular weight of 339.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonylpiperazine
PubChem CID2405262
Molecular FormulaC10H12BrClN2O2S
Molecular Weight339.64 g/mol
Exact Mass337.95
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H12BrClN2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyVGNMMLAYLPUGHF-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine (CID 2405262) is 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Br)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine?
The InChIKey is VGNMMLAYLPUGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine?
1-(4-bromo-2-chlorophenyl)sulfonylpiperazine has a molecular weight of 339.64 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2405262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).