N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide

C13H16N2O4S — CID 104696895

IUPACN-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C13H16N2O4S/c1-2-12(16)9-4-3-5-11(6-9)20(18,19)15-10-7-13(17)14-8-10/h3-6,10,15H,2,7-8H2,1H3,(H,14,17)
InChIKeyGXTKZCDQSPVGMX-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds5

About N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide

N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide (PubChem CID 104696895) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
PubChem CID104696895
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C13H16N2O4S/c1-2-12(16)9-4-3-5-11(6-9)20(18,19)15-10-7-13(17)14-8-10/h3-6,10,15H,2,7-8H2,1H3,(H,14,17)
InChIKeyGXTKZCDQSPVGMX-UHFFFAOYSA-N
XLogP0.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
CID 60873622
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
1-ethyl-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 106185307
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
3-propanoylbenzenesulfonic acid
CID 148597255
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
4-[(5-oxopyrrolidin-3-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 106185356
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide (CID 104696895) is N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC2CNC(=O)C2)c1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is GXTKZCDQSPVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-2-12(16)9-4-3-5-11(6-9)20(18,19)15-10-7-13(17)14-8-10/h3-6,10,15H,2,7-8H2,1H3,(H,14,17).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide?
N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 104696895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).