3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one

C21H24N2O3S — CID 110657262

IUPAC3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O3S/c1-15-6-2-5-9-19(15)20-21(24)22-12-13-23(20)27(25,26)18-11-10-16-7-3-4-8-17(16)14-18/h2,5-6,9-11,14,20H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyODXJBCVZAFOFTJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one

3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one (PubChem CID 110657262) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
PubChem CID110657262
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O3S/c1-15-6-2-5-9-19(15)20-21(24)22-12-13-23(20)27(25,26)18-11-10-16-7-3-4-8-17(16)14-18/h2,5-6,9-11,14,20H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyODXJBCVZAFOFTJ-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657318
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
2-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]sulfonylbenzonitrile
CID 110657321
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(2-methylphenyl)piperazin-2-one
CID 110657306
7-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-thiazepane
CID 90631498
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657138
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one?
The IUPAC name of 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one (CID 110657262) is 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one?
The InChIKey is ODXJBCVZAFOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-6-2-5-9-19(15)20-21(24)22-12-13-23(20)27(25,26)18-11-10-16-7-3-4-8-17(16)14-18/h2,5-6,9-11,14,20H,3-4,7-8,12-13H2,1H3,(H,22,24).
What are the key properties of 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one?
3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one has a molecular weight of 384.50 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one is sourced from PubChem (CID 110657262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).