4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one

C18H19FN2O3S — CID 110657265

IUPAC4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
SMILESCc1cc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2C)ccc1F
InChIInChI=1S/C18H19FN2O3S/c1-12-5-3-4-6-15(12)17-18(22)20-9-10-21(17)25(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyFSPDCVZACRNFDH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.30
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one

4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657265) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657265
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
SMILESCc1cc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2C)ccc1F
InChIInChI=1S/C18H19FN2O3S/c1-12-5-3-4-6-15(12)17-18(22)20-9-10-21(17)25(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyFSPDCVZACRNFDH-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-2-one
CID 110657262
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657318
4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657138
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-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
CID 110657098
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-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one (CID 110657265) is 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one is Cc1cc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is FSPDCVZACRNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-5-3-4-6-15(12)17-18(22)20-9-10-21(17)25(23,24)14-7-8-16(19)13(2)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one?
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).