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

C12H18BrClN2O2S — CID 120716815

IUPAC(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNC[C@H]2C)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-7-11(3-4-12(9)13)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyLHLYYDMQTXIEAW-HNCPQSOCSA-N
MW369.71 g/mol
LogP2.16
Rot. Bonds2

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

(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120716815) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120716815
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNC[C@H]2C)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-7-11(3-4-12(9)13)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyLHLYYDMQTXIEAW-HNCPQSOCSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
methyl 2-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 119970177
(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-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120716815) is (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is Cc1cc(S(=O)(=O)N2CCNC[C@H]2C)ccc1Br.Cl.
What is the InChIKey of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is LHLYYDMQTXIEAW-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-9-7-11(3-4-12(9)13)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120716815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).