4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

C17H16IN3O4S — CID 1418366

IUPAC4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C17H16IN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1
InChIKeySUXBCJKUIIPOLI-OAHLLOKOSA-N
MW485.30 g/mol
LogP1.36
Rot. Bonds5

About 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (PubChem CID 1418366) has the molecular formula C17H16IN3O4S and a molecular weight of 485.30 g/mol. Its IUPAC name is 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
PubChem CID1418366
Molecular FormulaC17H16IN3O4S
Molecular Weight485.30 g/mol
Exact Mass484.99
IUPAC Name4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1
InChIInChI=1S/C17H16IN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1
InChIKeySUXBCJKUIIPOLI-OAHLLOKOSA-N
XLogP1.36
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide 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

ethyl 4-[(3R)-2,5-dioxo-3-[(4-sulfamoylphenyl)methylamino]pyrrolidin-1-yl]benzoate
CID 2230774
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
4-[2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1090820
4-[2-[[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2869088
4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1420538
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
phenacyl 4-[2,5-dioxo-3-[2-(4-sulfamoylphenyl)ethylamino]pyrrolidin-1-yl]benzoate
CID 21168678
4-[[[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53295630
methyl 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2937003

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (CID 1418366) is 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1.
What is the InChIKey of 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The InChIKey is SUXBCJKUIIPOLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16IN3O4S/c18-12-3-5-13(6-4-12)21-16(22)9-15(17(21)23)20-10-11-1-7-14(8-2-11)26(19,24)25/h1-8,15,20H,9-10H2,(H2,19,24,25)/t15-/m1/s1.
What are the key properties of 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide has a molecular weight of 485.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 1418366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).