[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H16FN3O3S — CID 168680983

IUPAC[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCNc1ccc(F)cc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H16FN3O3S/c1-15-10-3-2-9(13)5-11(10)16-6-8(4-12(16)17)7-20(14,18)19/h2-3,5,8,15H,4,6-7H2,1H3,(H2,14,18,19)
InChIKeyORWBOAQWYUJQGC-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.51
Rot. Bonds4

About [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680983) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680983
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCNc1ccc(F)cc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C12H16FN3O3S/c1-15-10-3-2-9(13)5-11(10)16-6-8(4-12(16)17)7-20(14,18)19/h2-3,5,8,15H,4,6-7H2,1H3,(H2,14,18,19)
InChIKeyORWBOAQWYUJQGC-UHFFFAOYSA-N
XLogP0.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
[1-[5-cyano-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680980
[1-[2-(methylamino)-5-nitrophenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680984
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[1-(2-cyano-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682694
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168684306
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677212
N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711
[1-(4,5-difluoro-2-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682389

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680983) is [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CNc1ccc(F)cc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ORWBOAQWYUJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-15-10-3-2-9(13)5-11(10)16-6-8(4-12(16)17)7-20(14,18)19/h2-3,5,8,15H,4,6-7H2,1H3,(H2,14,18,19).
What are the key properties of [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 301.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).