(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride

C12H18Cl2N2O2S — CID 120717060

IUPAC(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-3-4-12(11(13)7-9)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m0./s1
InChIKeyFXJUYYDODJNYIC-PPHPATTJSA-N
MW325.26 g/mol
LogP2.05
Rot. Bonds2

About (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride

(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 120717060) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID120717060
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-3-4-12(11(13)7-9)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m0./s1
InChIKeyFXJUYYDODJNYIC-PPHPATTJSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(2-chloro-4-methylphenyl)sulfonylpiperazine-2-carbonitrile
CID 79091756
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 62673310
1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 63911398
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
CID 82755095
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 120717060) is (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)c(Cl)c1.Cl.
What is the InChIKey of (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is FXJUYYDODJNYIC-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c1-9-3-4-12(11(13)7-9)18(16,17)15-6-5-14-8-10(15)2;/h3-4,7,10,14H,5-6,8H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120717060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).