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

C10H8BrClINO3S — CID 168712530

IUPAC1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(Br)cc1I
InChIInChI=1S/C10H8BrClINO3S/c11-6-1-2-9(8(13)3-6)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyBAIQDSSQAQHNKW-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.73
Rot. Bonds2

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

1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712530) has the molecular formula C10H8BrClINO3S and a molecular weight of 464.51 g/mol. Its IUPAC name is 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712530
Molecular FormulaC10H8BrClINO3S
Molecular Weight464.51 g/mol
Exact Mass462.81
IUPAC Name1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(Br)cc1I
InChIInChI=1S/C10H8BrClINO3S/c11-6-1-2-9(8(13)3-6)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyBAIQDSSQAQHNKW-UHFFFAOYSA-N
XLogP2.73
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.73
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-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712530) is 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ccc(Br)cc1I.
What is the InChIKey of 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is BAIQDSSQAQHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClINO3S/c11-6-1-2-9(8(13)3-6)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2.
What are the key properties of 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 464.51 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).