N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide

C14H19FN2O3S — CID 16919871

IUPACN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)16-8-12-7-14(18)17(10-12)9-11-3-5-13(15)6-4-11/h3-6,12,16H,2,7-10H2,1H3
InChIKeyLYYZCNFAZAQYDT-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.11
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide

N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide (PubChem CID 16919871) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
PubChem CID16919871
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-2-21(19,20)16-8-12-7-14(18)17(10-12)9-11-3-5-13(15)6-4-11/h3-6,12,16H,2,7-10H2,1H3
InChIKeyLYYZCNFAZAQYDT-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide (CID 16919871) is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide?
The InChIKey is LYYZCNFAZAQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-21(19,20)16-8-12-7-14(18)17(10-12)9-11-3-5-13(15)6-4-11/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide?
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 16919871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).