4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide

C16H24N2O3S — CID 978022

IUPAC4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-11-3-4-12-18/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3
InChIKeyQIHRHPMNLAPVEH-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.93
Rot. Bonds6

About 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide

4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 978022) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID978022
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-11-3-4-12-18/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3
InChIKeyQIHRHPMNLAPVEH-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 978022) is 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QIHRHPMNLAPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(2)17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-11-3-4-12-18/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide?
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).