2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C17H17FN2O3S — CID 7564547

IUPAC2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C17H17FN2O3S/c1-12-6-8-14(9-7-12)20-11-13(10-17(20)21)19-24(22,23)16-5-3-2-4-15(16)18/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1
InChIKeyAELDZBOUEZEEFE-CYBMUJFWSA-N
MW348.40 g/mol
LogP2.22
Rot. Bonds4

About 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 7564547) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID7564547
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C17H17FN2O3S/c1-12-6-8-14(9-7-12)20-11-13(10-17(20)21)19-24(22,23)16-5-3-2-4-15(16)18/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1
InChIKeyAELDZBOUEZEEFE-CYBMUJFWSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
CID 16822400
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 131892529
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
2-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912170
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 7564547) is 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1.
What is the InChIKey of 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is AELDZBOUEZEEFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-12-6-8-14(9-7-12)20-11-13(10-17(20)21)19-24(22,23)16-5-3-2-4-15(16)18/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 7564547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).