(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride

C11H15BrCl2N2O2S — CID 120716985

IUPAC(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m1./s1
InChIKeyIOOJKYQAWIVBAM-DDWIOCJRSA-N
MW390.13 g/mol
LogP2.51
Rot. Bonds2

About (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride

(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120716985) has the molecular formula C11H15BrCl2N2O2S and a molecular weight of 390.13 g/mol. Its IUPAC name is (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120716985
Molecular FormulaC11H15BrCl2N2O2S
Molecular Weight390.13 g/mol
Exact Mass387.94
IUPAC Name(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m1./s1
InChIKeyIOOJKYQAWIVBAM-DDWIOCJRSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3-bromo-4-chlorophenyl)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

(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylazepane
CID 106612325
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
CID 119969942

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120716985) is (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is IOOJKYQAWIVBAM-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-14-4-5-15(8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 390.13 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120716985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).