1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine

C22H23ClN2O2S — CID 4678794

IUPAC1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1
InChIInChI=1S/C22H23ClN2O2S/c1-16-9-10-17(2)20(15-16)24-11-13-25(14-12-24)28(26,27)21-8-4-6-18-5-3-7-19(23)22(18)21/h3-10,15H,11-14H2,1-2H3
InChIKeyAOEGXRONNYIPAZ-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.62
Rot. Bonds3

About 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine

1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine (PubChem CID 4678794) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
PubChem CID4678794
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1
InChIInChI=1S/C22H23ClN2O2S/c1-16-9-10-17(2)20(15-16)24-11-13-25(14-12-24)28(26,27)21-8-4-6-18-5-3-7-19(23)22(18)21/h3-10,15H,11-14H2,1-2H3
InChIKeyAOEGXRONNYIPAZ-UHFFFAOYSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine (CID 4678794) is 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is AOEGXRONNYIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-16-9-10-17(2)20(15-16)24-11-13-25(14-12-24)28(26,27)21-8-4-6-18-5-3-7-19(23)22(18)21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 414.96 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 4678794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).