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

C23H19IN2O4S — CID 23886751

IUPACN-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1CC(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C23H19IN2O4S/c24-18-11-13-19(14-12-18)26-22(27)15-21(23(26)28)25(16-17-7-3-1-4-8-17)31(29,30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKeyORPGRVIHTKIOCH-UHFFFAOYSA-N
MW546.39 g/mol
LogP3.81
Rot. Bonds6

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

N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 23886751) has the molecular formula C23H19IN2O4S and a molecular weight of 546.39 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID23886751
Molecular FormulaC23H19IN2O4S
Molecular Weight546.39 g/mol
Exact Mass546.01
IUPAC NameN-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1CC(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C23H19IN2O4S/c24-18-11-13-19(14-12-18)26-22(27)15-21(23(26)28)25(16-17-7-3-1-4-8-17)31(29,30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKeyORPGRVIHTKIOCH-UHFFFAOYSA-N
XLogP3.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.39
LogP ≤ 53.81
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-benzyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772824
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
4-[3-[benzyl-(4-chlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25038329
4-[3-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25036315
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-benzylbenzenesulfonamide
CID 23830780
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23886744
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858946
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (CID 23886751) is N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is O=C1CC(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is ORPGRVIHTKIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19IN2O4S/c24-18-11-13-19(14-12-18)26-22(27)15-21(23(26)28)25(16-17-7-3-1-4-8-17)31(29,30)20-9-5-2-6-10-20/h1-14,21H,15-16H2.
What are the key properties of N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 546.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23886751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).