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

C10H9BrClFN2O3S — CID 168718503

IUPAC1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(F)c(Br)cc2Cl)C1
InChIInChI=1S/C10H9BrClFN2O3S/c11-6-2-7(12)9(3-8(6)13)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2,(H2,14,17,18)
InChIKeyBUQOTCYZKXJECT-UHFFFAOYSA-N
MW371.62 g/mol
LogP1.64
Rot. Bonds2

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

1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718503) has the molecular formula C10H9BrClFN2O3S and a molecular weight of 371.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718503
Molecular FormulaC10H9BrClFN2O3S
Molecular Weight371.62 g/mol
Exact Mass369.92
IUPAC Name1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(F)c(Br)cc2Cl)C1
InChIInChI=1S/C10H9BrClFN2O3S/c11-6-2-7(12)9(3-8(6)13)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2,(H2,14,17,18)
InChIKeyBUQOTCYZKXJECT-UHFFFAOYSA-N
XLogP1.64
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
[1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676772
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203
methyl 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694430
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718503) is 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(F)c(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is BUQOTCYZKXJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O3S/c11-6-2-7(12)9(3-8(6)13)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2,(H2,14,17,18).
What are the key properties of 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 371.62 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).