4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide

C18H18N2O4S — CID 42347010

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-13(14-5-3-2-4-6-14)19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h2-10,13,19H,11-12H2,1H3/t13-/m1/s1
InChIKeyYAQZNVQCMLZDEG-CYBMUJFWSA-N
MW358.42 g/mol
LogP2.38
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 42347010) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID42347010
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-13(14-5-3-2-4-6-14)19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h2-10,13,19H,11-12H2,1H3/t13-/m1/s1
InChIKeyYAQZNVQCMLZDEG-CYBMUJFWSA-N
XLogP2.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 42347010) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is YAQZNVQCMLZDEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-13(14-5-3-2-4-6-14)19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h2-10,13,19H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.38, 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-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 42347010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).