4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide

C22H18N2O4S — CID 100540065

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4S/c25-21-14-15-22(26)24(21)17-10-12-18(13-11-17)29(27,28)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,23H,14-15H2
InChIKeyRVPWWIDUHOIODR-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.81
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 100540065) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID100540065
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4S/c25-21-14-15-22(26)24(21)17-10-12-18(13-11-17)29(27,28)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,23H,14-15H2
InChIKeyRVPWWIDUHOIODR-UHFFFAOYSA-N
XLogP3.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide (CID 100540065) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is RVPWWIDUHOIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c25-21-14-15-22(26)24(21)17-10-12-18(13-11-17)29(27,28)23-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,23H,14-15H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 100540065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).