4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one

C20H22N2O3S — CID 110657318

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O3S/c1-14-5-2-3-8-18(14)19-20(23)21-11-12-22(19)26(24,25)17-10-9-15-6-4-7-16(15)13-17/h2-3,5,8-10,13,19H,4,6-7,11-12H2,1H3,(H,21,23)
InChIKeyUQMWUPKWMKSGMH-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.35
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657318) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657318
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O3S/c1-14-5-2-3-8-18(14)19-20(23)21-11-12-22(19)26(24,25)17-10-9-15-6-4-7-16(15)13-17/h2-3,5,8-10,13,19H,4,6-7,11-12H2,1H3,(H,21,23)
InChIKeyUQMWUPKWMKSGMH-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
CID 110657262
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
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
7-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-thiazepane
CID 90631498
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
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one (CID 110657318) is 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is UQMWUPKWMKSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-5-2-3-8-18(14)19-20(23)21-11-12-22(19)26(24,25)17-10-9-15-6-4-7-16(15)13-17/h2-3,5,8-10,13,19H,4,6-7,11-12H2,1H3,(H,21,23).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one?
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 370.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).