N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide

C11H14N2O3S — CID 142244117

IUPACN-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)13-10-7-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10,13H,7H2,1H3,(H,12,14)
InChIKeyATDGQCIPOLCISP-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.17
Rot. Bonds3

About N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide

N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 142244117) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
PubChem CID142244117
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(c2ccccc2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)13-10-7-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10,13H,7H2,1H3,(H,12,14)
InChIKeyATDGQCIPOLCISP-UHFFFAOYSA-N
XLogP0.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide (CID 142244117) is N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide is CS(=O)(=O)NC1CC(c2ccccc2)NC1=O.
What is the InChIKey of N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is ATDGQCIPOLCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17(15,16)13-10-7-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10,13H,7H2,1H3,(H,12,14).
What are the key properties of N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide?
N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 142244117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).