1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H8Cl2INO3S — CID 168712434

IUPAC1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H8Cl2INO3S/c11-8-3-6(1-2-9(8)13)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyALWJCQWTPMQVTJ-UHFFFAOYSA-N
MW420.06 g/mol
LogP2.62
Rot. Bonds2

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

1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712434) has the molecular formula C10H8Cl2INO3S and a molecular weight of 420.06 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712434
Molecular FormulaC10H8Cl2INO3S
Molecular Weight420.06 g/mol
Exact Mass418.86
IUPAC Name1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H8Cl2INO3S/c11-8-3-6(1-2-9(8)13)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2
InChIKeyALWJCQWTPMQVTJ-UHFFFAOYSA-N
XLogP2.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 52.62
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-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711181
S-[1-(3-chloro-4-iodophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706578
5-oxo-1-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-sulfonyl chloride
CID 168712750
1-(4-iodo-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714313
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712530
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
[1-(4-chloro-3-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674043
1-[3-[(dimethylamino)methyl]phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711318

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712434) is 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is ALWJCQWTPMQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2INO3S/c11-8-3-6(1-2-9(8)13)14-5-7(4-10(14)15)18(12,16)17/h1-3,7H,4-5H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 420.06 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).