1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine

C14H20Cl2N2O2S — CID 64979887

IUPAC1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CC(C)NCC2C)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-8-5-12(15)11(4)14(13(8)16)21(19,20)18-7-9(2)17-6-10(18)3/h5,9-10,17H,6-7H2,1-4H3
InChIKeyRPCKVUKKWVZKAJ-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.98
Rot. Bonds2

About 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine

1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine (PubChem CID 64979887) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
PubChem CID64979887
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CC(C)NCC2C)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-8-5-12(15)11(4)14(13(8)16)21(19,20)18-7-9(2)17-6-10(18)3/h5,9-10,17H,6-7H2,1-4H3
InChIKeyRPCKVUKKWVZKAJ-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine (CID 64979887) is 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine is Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC(C)NCC2C)c1Cl.
What is the InChIKey of 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The InChIKey is RPCKVUKKWVZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-8-5-12(15)11(4)14(13(8)16)21(19,20)18-7-9(2)17-6-10(18)3/h5,9-10,17H,6-7H2,1-4H3.
What are the key properties of 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine has a molecular weight of 351.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64979887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).