1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine

C12H17ClN2O2S — CID 62672958

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/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
InChIKeyIXDKVILWYNNEPC-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.63
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine

1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine (PubChem CID 62672958) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
PubChem CID62672958
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/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
InChIKeyIXDKVILWYNNEPC-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
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
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
CID 82755095
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
4-chloro-3-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 82755462

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine (CID 62672958) is 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine is Cc1ccc(S(=O)(=O)N2CCNCC2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is IXDKVILWYNNEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/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.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine?
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 288.80 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 62672958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).