1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H11BrFN3O3S — CID 168718565

IUPAC1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1cc(Br)c(F)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H11BrFN3O3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4,13H2,(H2,14,17,18)
InChIKeyNYDKABNIOQRCEC-UHFFFAOYSA-N
MW352.19 g/mol
LogP0.56
Rot. Bonds2

About 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718565) has the molecular formula C10H11BrFN3O3S and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718565
Molecular FormulaC10H11BrFN3O3S
Molecular Weight352.19 g/mol
Exact Mass350.97
IUPAC Name1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1cc(Br)c(F)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H11BrFN3O3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4,13H2,(H2,14,17,18)
InChIKeyNYDKABNIOQRCEC-UHFFFAOYSA-N
XLogP0.56
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 50.56
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-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
[1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682321
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718565) is 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is Nc1cc(Br)c(F)cc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NYDKABNIOQRCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4,13H2,(H2,14,17,18).
What are the key properties of 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 352.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).