N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C23H20N2O4S — CID 58664932

IUPACN-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20N2O4S/c26-22-11-6-16-25(22)18-12-14-19(15-13-18)30(28,29)24-21-10-5-4-9-20(21)23(27)17-7-2-1-3-8-17/h1-5,7-10,12-15,24H,6,11,16H2
InChIKeyGVKSHCBASMBUPR-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.85
Rot. Bonds6

About N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 58664932) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID58664932
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20N2O4S/c26-22-11-6-16-25(22)18-12-14-19(15-13-18)30(28,29)24-21-10-5-4-9-20(21)23(27)17-7-2-1-3-8-17/h1-5,7-10,12-15,24H,6,11,16H2
InChIKeyGVKSHCBASMBUPR-UHFFFAOYSA-N
XLogP3.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 58664932) is N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is GVKSHCBASMBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c26-22-11-6-16-25(22)18-12-14-19(15-13-18)30(28,29)24-21-10-5-4-9-20(21)23(27)17-7-2-1-3-8-17/h1-5,7-10,12-15,24H,6,11,16H2.
What are the key properties of N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 58664932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).