1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine

C13H19ClN2O2S — CID 971270

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-10-9-13(11(2)8-12(10)14)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyRYEOBCRRHCDFHK-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 971270) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
PubChem CID971270
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-10-9-13(11(2)8-12(10)14)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyRYEOBCRRHCDFHK-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine (CID 971270) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine is Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is RYEOBCRRHCDFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-9-13(11(2)8-12(10)14)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 971270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).