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

C22H25IN2O5S — CID 23830578

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H25IN2O5S/c1-5-22(2,3)25(31(28,29)18-12-10-17(30-4)11-13-18)19-14-20(26)24(21(19)27)16-8-6-15(23)7-9-16/h6-13,19H,5,14H2,1-4H3
InChIKeyQPNJYYIAQLNSFW-UHFFFAOYSA-N
MW556.42 g/mol
LogP3.81
Rot. Bonds7

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

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 23830578) has the molecular formula C22H25IN2O5S and a molecular weight of 556.42 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID23830578
Molecular FormulaC22H25IN2O5S
Molecular Weight556.42 g/mol
Exact Mass556.05
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H25IN2O5S/c1-5-22(2,3)25(31(28,29)18-12-10-17(30-4)11-13-18)19-14-20(26)24(21(19)27)16-8-6-15(23)7-9-16/h6-13,19H,5,14H2,1-4H3
InChIKeyQPNJYYIAQLNSFW-UHFFFAOYSA-N
XLogP3.81
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23830577
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23998726
4-[3-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25043192
4-[3-[(4-fluorophenyl)sulfonyl-(2-methylbutan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25044948
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
4-bromo-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 23801800
methyl 4-[3-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23858978
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23801804
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23998656
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830750
N-tert-butyl-4-methoxy-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23859077

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 23830578) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)N(C1CC(=O)N(c2ccc(I)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is QPNJYYIAQLNSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN2O5S/c1-5-22(2,3)25(31(28,29)18-12-10-17(30-4)11-13-18)19-14-20(26)24(21(19)27)16-8-6-15(23)7-9-16/h6-13,19H,5,14H2,1-4H3.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 556.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 23830578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).