N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

C14H19FN2O3S — CID 71784608

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)16-10-13(17-7-3-6-14(17)18)9-11-4-2-5-12(15)8-11/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3
InChIKeyQUSOKKQQFXLWAA-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.91
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 71784608) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID71784608
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)16-10-13(17-7-3-6-14(17)18)9-11-4-2-5-12(15)8-11/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3
InChIKeyQUSOKKQQFXLWAA-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]furan-2-carboxamide
CID 71784623
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 97039381
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039440
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (CID 71784608) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is QUSOKKQQFXLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)16-10-13(17-7-3-6-14(17)18)9-11-4-2-5-12(15)8-11/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 71784608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).