3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide

C18H20N2O5S — CID 16829562

IUPAC3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccccc3)C2)cc1OC
InChIInChI=1S/C18H20N2O5S/c1-24-16-9-8-15(11-17(16)25-2)26(22,23)19-13-10-18(21)20(12-13)14-6-4-3-5-7-14/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyWSHWMTPPWLRLLU-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.79
Rot. Bonds6

About 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide

3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 16829562) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID16829562
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccccc3)C2)cc1OC
InChIInChI=1S/C18H20N2O5S/c1-24-16-9-8-15(11-17(16)25-2)26(22,23)19-13-10-18(21)20(12-13)14-6-4-3-5-7-14/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyWSHWMTPPWLRLLU-UHFFFAOYSA-N
XLogP1.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7564634
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide (CID 16829562) is 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccccc3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is WSHWMTPPWLRLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-16-9-8-15(11-17(16)25-2)26(22,23)19-13-10-18(21)20(12-13)14-6-4-3-5-7-14/h3-9,11,13,19H,10,12H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide?
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 16829562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).