1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H10ClIN2O3S — CID 168718951

IUPAC1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(I)cc2Cl)C1
InChIInChI=1S/C10H10ClIN2O3S/c11-8-3-6(12)1-2-9(8)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyGAZNHHUFZLVDIY-UHFFFAOYSA-N
MW400.63 g/mol
LogP1.34
Rot. Bonds2

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

1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718951) has the molecular formula C10H10ClIN2O3S and a molecular weight of 400.63 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718951
Molecular FormulaC10H10ClIN2O3S
Molecular Weight400.63 g/mol
Exact Mass399.91
IUPAC Name1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(I)cc2Cl)C1
InChIInChI=1S/C10H10ClIN2O3S/c11-8-3-6(12)1-2-9(8)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyGAZNHHUFZLVDIY-UHFFFAOYSA-N
XLogP1.34
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718905
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717608
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
S-[1-(2-chloro-4-iodophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706787
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
3-amino-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzenesulfonic acid
CID 168718964

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718951) is 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(I)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is GAZNHHUFZLVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O3S/c11-8-3-6(12)1-2-9(8)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17).
What are the key properties of 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 400.63 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).