3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one

C15H20FN3O3S — CID 91913082

IUPAC3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C15H20FN3O3S/c1-17-6-5-14(15(17)20)18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(16)11-13/h2-4,11,14H,5-10H2,1H3
InChIKeyMKWANSVKRIWHHC-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.36
Rot. Bonds3

About 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one

3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 91913082) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID91913082
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C15H20FN3O3S/c1-17-6-5-14(15(17)20)18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(16)11-13/h2-4,11,14H,5-10H2,1H3
InChIKeyMKWANSVKRIWHHC-UHFFFAOYSA-N
XLogP0.36
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925822
(3S)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2095768
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
5-(3-fluorophenyl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201446
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
(3aS,7aR)-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911427
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913089
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
(3R)-1-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 41156767

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one (CID 91913082) is 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is MKWANSVKRIWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-17-6-5-14(15(17)20)18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(16)11-13/h2-4,11,14H,5-10H2,1H3.
What are the key properties of 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91913082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).