1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13FN2O3S — CID 168717604

IUPAC1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13FN2O3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyJKMOXCLELRCNGG-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.53
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717604) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717604
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13FN2O3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyJKMOXCLELRCNGG-UHFFFAOYSA-N
XLogP0.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718987
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
methyl 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693626
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717604) is 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JKMOXCLELRCNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).