3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C15H20N2O4S — CID 51097875

IUPAC3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O4S/c1-11(15(19)17-8-3-4-9-17)16-22(20,21)14-7-5-6-13(10-14)12(2)18/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyCNDCOOJEYJEQMX-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.18
Rot. Bonds5

About 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 51097875) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID51097875
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O4S/c1-11(15(19)17-8-3-4-9-17)16-22(20,21)14-7-5-6-13(10-14)12(2)18/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyCNDCOOJEYJEQMX-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94819026
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 51097875) is 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)c1.
What is the InChIKey of 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is CNDCOOJEYJEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(15(19)17-8-3-4-9-17)16-22(20,21)14-7-5-6-13(10-14)12(2)18/h5-7,10-11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 51097875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).