N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H17FN2O3S — CID 1084075

IUPACN-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-4-5-11(14)9-12)10-13(17)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyLSUXUIQVCSSGOI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.21
Rot. Bonds4

About N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 1084075) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID1084075
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-4-5-11(14)9-12)10-13(17)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyLSUXUIQVCSSGOI-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 1084075) is N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is LSUXUIQVCSSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-4-5-11(14)9-12)10-13(17)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1084075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).