1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine

C11H14BrClN2O2S — CID 1104492

IUPAC1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C11H14BrClN2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3
InChIKeyLEJDBWVABCDKMT-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine

1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine (PubChem CID 1104492) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine
PubChem CID1104492
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C11H14BrClN2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3
InChIKeyLEJDBWVABCDKMT-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine (CID 1104492) is 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine?
The InChIKey is LEJDBWVABCDKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine?
1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine has a molecular weight of 353.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 1104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).