3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one

C15H15FN2O3S2 — CID 110657098

IUPAC3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)s1
InChIInChI=1S/C15H15FN2O3S2/c1-10-6-7-13(22-10)23(20,21)18-9-8-17-15(19)14(18)11-4-2-3-5-12(11)16/h2-7,14H,8-9H2,1H3,(H,17,19)
InChIKeyJWIZIMMSBRXHCC-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.06
Rot. Bonds3

About 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one

3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one (PubChem CID 110657098) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
PubChem CID110657098
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC Name3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)s1
InChIInChI=1S/C15H15FN2O3S2/c1-10-6-7-13(22-10)23(20,21)18-9-8-17-15(19)14(18)11-4-2-3-5-12(11)16/h2-7,14H,8-9H2,1H3,(H,17,19)
InChIKeyJWIZIMMSBRXHCC-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657069
4-(3-acetylphenyl)sulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657138
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
4-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657265
4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657636
(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 146096119
3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
CID 110644793
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
CID 146108844
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(2-methylphenyl)piperazin-2-one
CID 110657306
4-(3,4-dichlorophenyl)sulfonyl-3-(2-methylphenyl)piperazin-2-one
CID 110657267

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one (CID 110657098) is 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one is Cc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2F)s1.
What is the InChIKey of 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one?
The InChIKey is JWIZIMMSBRXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c1-10-6-7-13(22-10)23(20,21)18-9-8-17-15(19)14(18)11-4-2-3-5-12(11)16/h2-7,14H,8-9H2,1H3,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one?
3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one has a molecular weight of 354.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110657098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).