4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide

C17H17FN2O3S — CID 40911714

IUPAC4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H17FN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1
InChIKeyYXSZSYFIEZWQQD-CYBMUJFWSA-N
MW348.40 g/mol
LogP2.16
Rot. Bonds5

About 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide

4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 40911714) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID40911714
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H17FN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1
InChIKeyYXSZSYFIEZWQQD-CYBMUJFWSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-nitrobenzenesulfonamide
CID 16919680
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919638
2-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912170
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (CID 40911714) is 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccccc1.
What is the InChIKey of 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is YXSZSYFIEZWQQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-6-8-16(9-7-14)24(22,23)19-11-13-10-17(21)20(12-13)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2/t13-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40911714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).