2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide

C18H20N2O3S — CID 71838669

IUPAC2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H20N2O3S/c1-2-14-8-6-7-11-17(14)24(22,23)19-16-12-13-20(18(16)21)15-9-4-3-5-10-15/h3-11,16,19H,2,12-13H2,1H3
InChIKeyICXBUTOTHCUENG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.33
Rot. Bonds5

About 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide

2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 71838669) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID71838669
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H20N2O3S/c1-2-14-8-6-7-11-17(14)24(22,23)19-16-12-13-20(18(16)21)15-9-4-3-5-10-15/h3-11,16,19H,2,12-13H2,1H3
InChIKeyICXBUTOTHCUENG-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101436
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 53166772
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
2-bromo-N-[(3S)-1-ethyl-2-oxoazepan-3-yl]benzenesulfonamide
CID 90313771
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide (CID 71838669) is 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide is CCc1ccccc1S(=O)(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ICXBUTOTHCUENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-14-8-6-7-11-17(14)24(22,23)19-16-12-13-20(18(16)21)15-9-4-3-5-10-15/h3-11,16,19H,2,12-13H2,1H3.
What are the key properties of 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 71838669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).