1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C22H23ClN2O2S — CID 3520156

IUPAC1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1C
InChIInChI=1S/C22H23ClN2O2S/c1-16-6-3-10-20(17(16)2)24-12-14-25(15-13-24)28(26,27)21-11-5-8-18-7-4-9-19(23)22(18)21/h3-11H,12-15H2,1-2H3
InChIKeyIIOKEYFGHLLXER-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.62
Rot. Bonds3

About 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3520156) 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-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID3520156
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1C
InChIInChI=1S/C22H23ClN2O2S/c1-16-6-3-10-20(17(16)2)24-12-14-25(15-13-24)28(26,27)21-11-5-8-18-7-4-9-19(23)22(18)21/h3-11H,12-15H2,1-2H3
InChIKeyIIOKEYFGHLLXER-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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Related Compounds

1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 3459018
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
ethyl 2-[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]acetate
CID 3300385
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 3520156) is 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)c1C.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is IIOKEYFGHLLXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-16-6-3-10-20(17(16)2)24-12-14-25(15-13-24)28(26,27)21-11-5-8-18-7-4-9-19(23)22(18)21/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-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-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3520156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).