N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C24H23IN2O4S — CID 23858960

IUPACN-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCC(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23IN2O4S/c1-3-16(2)27(32(30,31)21-13-8-17-6-4-5-7-18(17)14-21)22-15-23(28)26(24(22)29)20-11-9-19(25)10-12-20/h4-14,16,22H,3,15H2,1-2H3
InChIKeyUFUYFNNTDPXAMV-UHFFFAOYSA-N
MW562.43 g/mol
LogP4.57
Rot. Bonds6

About N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 23858960) has the molecular formula C24H23IN2O4S and a molecular weight of 562.43 g/mol. Its IUPAC name is N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID23858960
Molecular FormulaC24H23IN2O4S
Molecular Weight562.43 g/mol
Exact Mass562.04
IUPAC NameN-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCC(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23IN2O4S/c1-3-16(2)27(32(30,31)21-13-8-17-6-4-5-7-18(17)14-21)22-15-23(28)26(24(22)29)20-11-9-19(25)10-12-20/h4-14,16,22H,3,15H2,1-2H3
InChIKeyUFUYFNNTDPXAMV-UHFFFAOYSA-N
XLogP4.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.43
LogP ≤ 54.57
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'}

Analyze N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
CID 23914883
N-butan-2-yl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23802013
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858946
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23886744
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 25046261
N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23914922
N-butan-2-yl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 23772778
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23802000
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886751
[4-[3-[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23801844

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 23858960) is N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is CCC(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is UFUYFNNTDPXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23IN2O4S/c1-3-16(2)27(32(30,31)21-13-8-17-6-4-5-7-18(17)14-21)22-15-23(28)26(24(22)29)20-11-9-19(25)10-12-20/h4-14,16,22H,3,15H2,1-2H3.
What are the key properties of N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 562.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 23858960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).