1-(4-bromophenyl)sulfonyl-4-methylpiperazine

C11H15BrN2O2S — CID 710729

IUPAC1-(4-bromophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyCBNDEXDYZUNXBF-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-4-methylpiperazine

1-(4-bromophenyl)sulfonyl-4-methylpiperazine (PubChem CID 710729) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-methylpiperazine
PubChem CID710729
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(4-bromophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyCBNDEXDYZUNXBF-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-methylpiperazine (CID 710729) is 1-(4-bromophenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-methylpiperazine?
The InChIKey is CBNDEXDYZUNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-methylpiperazine?
1-(4-bromophenyl)sulfonyl-4-methylpiperazine has a molecular weight of 319.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 710729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).