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

C18H16N2O5S — CID 43853531

IUPACN-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H16N2O5S/c1-12(21)15-4-2-3-5-16(15)19-26(24,25)14-8-6-13(7-9-14)20-17(22)10-11-18(20)23/h2-9,19H,10-11H2,1H3
InChIKeyZPUZEYNMLWLRET-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.34
Rot. Bonds5

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

N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 43853531) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID43853531
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H16N2O5S/c1-12(21)15-4-2-3-5-16(15)19-26(24,25)14-8-6-13(7-9-14)20-17(22)10-11-18(20)23/h2-9,19H,10-11H2,1H3
InChIKeyZPUZEYNMLWLRET-UHFFFAOYSA-N
XLogP2.34
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
methyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-2-methylbenzoate
CID 100538749
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100539081
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
CID 100540065
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
3-[4-[(2-acetylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4237126
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 43853531) is N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is ZPUZEYNMLWLRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-12(21)15-4-2-3-5-16(15)19-26(24,25)14-8-6-13(7-9-14)20-17(22)10-11-18(20)23/h2-9,19H,10-11H2,1H3.
What are the key properties of N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 43853531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).