1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine

C21H24N2O2S — CID 16572233

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)c1
InChIInChI=1S/C21H24N2O2S/c1-17-5-4-8-20(15-17)22-11-13-23(14-12-22)26(24,25)21-10-9-18-6-2-3-7-19(18)16-21/h2-8,15-16H,9-14H2,1H3
InChIKeyOLDIVPIHHXOQIV-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.43
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine (PubChem CID 16572233) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine
PubChem CID16572233
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)c1
InChIInChI=1S/C21H24N2O2S/c1-17-5-4-8-20(15-17)22-11-13-23(14-12-22)26(24,25)21-10-9-18-6-2-3-7-19(18)16-21/h2-8,15-16H,9-14H2,1H3
InChIKeyOLDIVPIHHXOQIV-UHFFFAOYSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
CID 39911950
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-methyl-1,4-diazepane
CID 75412961
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110383201
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 27305949
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine (CID 16572233) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)c1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine?
The InChIKey is OLDIVPIHHXOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-17-5-4-8-20(15-17)22-11-13-23(14-12-22)26(24,25)21-10-9-18-6-2-3-7-19(18)16-21/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine has a molecular weight of 368.50 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 16572233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).