1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H12FN3O3S — CID 168719409

IUPAC1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H12FN3O3S/c11-7-2-1-3-8(10(7)12)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5,12H2,(H2,13,16,17)
InChIKeyKRDFVKOVIWCSAB-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.20
Rot. Bonds2

About 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719409) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719409
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H12FN3O3S/c11-7-2-1-3-8(10(7)12)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5,12H2,(H2,13,16,17)
InChIKeyKRDFVKOVIWCSAB-UHFFFAOYSA-N
XLogP-0.20
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718987
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717109
1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719153

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168719409) is 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is Nc1c(F)cccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is KRDFVKOVIWCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c11-7-2-1-3-8(10(7)12)14-5-6(4-9(14)15)18(13,16)17/h1-3,6H,4-5,12H2,(H2,13,16,17).
What are the key properties of 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 273.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).