4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one

C18H17FN2O4S — CID 110657138

IUPAC4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)c1
InChIInChI=1S/C18H17FN2O4S/c1-12(22)13-5-4-6-14(11-13)26(24,25)21-10-9-20-18(23)17(21)15-7-2-3-8-16(15)19/h2-8,11,17H,9-10H2,1H3,(H,20,23)
InChIKeyBHZNTXQOCGZDSY-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.89
Rot. Bonds4

About 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one

4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one (PubChem CID 110657138) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
PubChem CID110657138
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)c1
InChIInChI=1S/C18H17FN2O4S/c1-12(22)13-5-4-6-14(11-13)26(24,25)21-10-9-20-18(23)17(21)15-7-2-3-8-16(15)19/h2-8,11,17H,9-10H2,1H3,(H,20,23)
InChIKeyBHZNTXQOCGZDSY-UHFFFAOYSA-N
XLogP1.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
CID 110657098
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
CID 146108844
4-butylsulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657069
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267
3-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-one
CID 110657445
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
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
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one (CID 110657138) is 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one is CC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)c1.
What is the InChIKey of 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
The InChIKey is BHZNTXQOCGZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-12(22)13-5-4-6-14(11-13)26(24,25)21-10-9-20-18(23)17(21)15-7-2-3-8-16(15)19/h2-8,11,17H,9-10H2,1H3,(H,20,23).
What are the key properties of 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one?
4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one has a molecular weight of 376.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).