N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide

C24H21IN2O4S — CID 23886744

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21IN2O4S/c1-17(18-8-4-2-5-9-18)27(32(30,31)21-10-6-3-7-11-21)22-16-23(28)26(24(22)29)20-14-12-19(25)13-15-20/h2-15,17,22H,16H2,1H3
InChIKeyALHZCQXNANXSLY-UHFFFAOYSA-N
MW560.41 g/mol
LogP4.38
Rot. Bonds6

About N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 23886744) has the molecular formula C24H21IN2O4S and a molecular weight of 560.41 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
PubChem CID23886744
Molecular FormulaC24H21IN2O4S
Molecular Weight560.41 g/mol
Exact Mass560.03
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21IN2O4S/c1-17(18-8-4-2-5-9-18)27(32(30,31)21-10-6-3-7-11-21)22-16-23(28)26(24(22)29)20-14-12-19(25)13-15-20/h2-15,17,22H,16H2,1H3
InChIKeyALHZCQXNANXSLY-UHFFFAOYSA-N
XLogP4.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23970768
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
CID 23914883
N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858960
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886751
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 23914932
N-butan-2-yl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23802013
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 23888447
N-cyclohexyl-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942728
4-bromo-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23830577
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23801871
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-butan-2-yl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 23772778

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide (CID 23886744) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is ALHZCQXNANXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21IN2O4S/c1-17(18-8-4-2-5-9-18)27(32(30,31)21-10-6-3-7-11-21)22-16-23(28)26(24(22)29)20-14-12-19(25)13-15-20/h2-15,17,22H,16H2,1H3.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 560.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 23886744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).