1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H8BrFINO3S — CID 168715621

IUPAC1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(I)cc1Br
InChIInChI=1S/C10H8BrFINO3S/c11-8-3-6(13)1-2-9(8)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyXGSLGNXVZKLPJH-UHFFFAOYSA-N
MW448.05 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715621) has the molecular formula C10H8BrFINO3S and a molecular weight of 448.05 g/mol. Its IUPAC name is 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715621
Molecular FormulaC10H8BrFINO3S
Molecular Weight448.05 g/mol
Exact Mass446.84
IUPAC Name1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccc(I)cc1Br
InChIInChI=1S/C10H8BrFINO3S/c11-8-3-6(13)1-2-9(8)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyXGSLGNXVZKLPJH-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682704
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203
S-[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706785
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715355
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715621) is 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccc(I)cc1Br.
What is the InChIKey of 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is XGSLGNXVZKLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFINO3S/c11-8-3-6(13)1-2-9(8)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2.
What are the key properties of 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 448.05 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).