(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride

C11H14Cl4N2O2S — CID 120717146

IUPAC(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H13Cl3N2O2S.ClH/c1-7-6-15-2-3-16(7)19(17,18)11-9(13)4-8(12)5-10(11)14;/h4-5,7,15H,2-3,6H2,1H3;1H/t7-;/m0./s1
InChIKeyRFQIMXATOSTSQC-FJXQXJEOSA-N
MW380.12 g/mol
LogP3.05
Rot. Bonds2

About (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride

(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120717146) has the molecular formula C11H14Cl4N2O2S and a molecular weight of 380.12 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID120717146
Molecular FormulaC11H14Cl4N2O2S
Molecular Weight380.12 g/mol
Exact Mass377.95
IUPAC Name(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESC[C@H]1CNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H13Cl3N2O2S.ClH/c1-7-6-15-2-3-16(7)19(17,18)11-9(13)4-8(12)5-10(11)14;/h4-5,7,15H,2-3,6H2,1H3;1H/t7-;/m0./s1
InChIKeyRFQIMXATOSTSQC-FJXQXJEOSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-1-(2,4,6-trichlorophenyl)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 (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride (CID 120717146) is (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride is C[C@H]1CNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.Cl.
What is the InChIKey of (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is RFQIMXATOSTSQC-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H13Cl3N2O2S.ClH/c1-7-6-15-2-3-16(7)19(17,18)11-9(13)4-8(12)5-10(11)14;/h4-5,7,15H,2-3,6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride?
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 380.12 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).