[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H12F2N2O3S — CID 168682427

IUPAC[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2O3S/c12-8-1-2-9(13)10(4-8)15-5-7(3-11(15)16)6-19(14,17)18/h1-2,4,7H,3,5-6H2,(H2,14,17,18)
InChIKeyDHDFJOUNIAWGBY-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.61
Rot. Bonds3

About [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682427) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682427
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2O3S/c12-8-1-2-9(13)10(4-8)15-5-7(3-11(15)16)6-19(14,17)18/h1-2,4,7H,3,5-6H2,(H2,14,17,18)
InChIKeyDHDFJOUNIAWGBY-UHFFFAOYSA-N
XLogP0.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680983
[1-(2-cyano-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682694
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677212
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(4,5-difluoro-2-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682389
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673985
[1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682321
4,5-difluoro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682235

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682427) is [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2cc(F)ccc2F)C1.
What is the InChIKey of [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DHDFJOUNIAWGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-8-1-2-9(13)10(4-8)15-5-7(3-11(15)16)6-19(14,17)18/h1-2,4,7H,3,5-6H2,(H2,14,17,18).
What are the key properties of [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).