(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride

C11H15Br2ClN2O2S — CID 120717119

IUPAC(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Br.Cl
InChIInChI=1S/C11H14Br2N2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyLDWQKAYERLLWTE-QRPNPIFTSA-N
MW434.58 g/mol
LogP2.62
Rot. Bonds2

About (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride

(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120717119) has the molecular formula C11H15Br2ClN2O2S and a molecular weight of 434.58 g/mol. Its IUPAC name is (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120717119
Molecular FormulaC11H15Br2ClN2O2S
Molecular Weight434.58 g/mol
Exact Mass431.89
IUPAC Name(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Br.Cl
InChIInChI=1S/C11H14Br2N2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyLDWQKAYERLLWTE-QRPNPIFTSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
methyl 3-bromo-4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969763
(2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine
CID 82745353
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708143
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(2-bromo-5-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119969907
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119970051
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120717119) is (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride is C[C@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Br.Cl.
What is the InChIKey of (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is LDWQKAYERLLWTE-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 434.58 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120717119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).