1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine

C13H19ClN2O2S — CID 63911398

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2C(C)CNCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-4-5-13(12(14)6-9)19(17,18)16-10(2)7-15-8-11(16)3/h4-6,10-11,15H,7-8H2,1-3H3
InChIKeyLODSBWIWBPTKJO-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine

1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine (PubChem CID 63911398) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
PubChem CID63911398
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2C(C)CNCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-4-5-13(12(14)6-9)19(17,18)16-10(2)7-15-8-11(16)3/h4-6,10-11,15H,7-8H2,1-3H3
InChIKeyLODSBWIWBPTKJO-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine (CID 63911398) is 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine is Cc1ccc(S(=O)(=O)N2C(C)CNCC2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
The InChIKey is LODSBWIWBPTKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-4-5-13(12(14)6-9)19(17,18)16-10(2)7-15-8-11(16)3/h4-6,10-11,15H,7-8H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine?
1-(2-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 2.02, 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-2,6-dimethylpiperazine is sourced from PubChem (CID 63911398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).