N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide

C14H19FN2O3S — CID 95196387

IUPACN-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
SMILESC[C@H](C(=O)N1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-11(14(18)16-8-3-4-9-16)17(21(2,19)20)13-7-5-6-12(15)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBRWXPIFUTRIAQE-LLVKDONJSA-N
MW314.38 g/mol
LogP1.60
Rot. Bonds4

About N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide

N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide (PubChem CID 95196387) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
PubChem CID95196387
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
SMILESC[C@H](C(=O)N1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-11(14(18)16-8-3-4-9-16)17(21(2,19)20)13-7-5-6-12(15)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBRWXPIFUTRIAQE-LLVKDONJSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95195755
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 95196405
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 132654483
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
CID 2240774
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide (CID 95196387) is N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide is C[C@H](C(=O)N1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The InChIKey is BRWXPIFUTRIAQE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-11(14(18)16-8-3-4-9-16)17(21(2,19)20)13-7-5-6-12(15)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 95196387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).