1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

C20H23ClN2O2S — CID 35764669

IUPAC1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2S/c21-18-6-3-7-19(15-18)22-10-12-23(13-11-22)26(24,25)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyZAAXEISVTRJTEQ-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (PubChem CID 35764669) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
PubChem CID35764669
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2S/c21-18-6-3-7-19(15-18)22-10-12-23(13-11-22)26(24,25)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyZAAXEISVTRJTEQ-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 16803367
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 22584694
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
CID 50760015
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (CID 35764669) is 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The InChIKey is ZAAXEISVTRJTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-18-6-3-7-19(15-18)22-10-12-23(13-11-22)26(24,25)20-9-8-16-4-1-2-5-17(16)14-20/h3,6-9,14-15H,1-2,4-5,10-13H2.
What are the key properties of 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine has a molecular weight of 390.94 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 35764669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).