1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C13H15FN2O4S — CID 168713630

IUPAC1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(=O)Nc1cc(N2CC(S(=O)(=O)F)CC2=O)ccc1C
InChIInChI=1S/C13H15FN2O4S/c1-8-3-4-10(5-12(8)15-9(2)17)16-7-11(6-13(16)18)21(14,19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17)
InChIKeyYQEUKHHGRWOEAW-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.36
Rot. Bonds3

About 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713630) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713630
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(=O)Nc1cc(N2CC(S(=O)(=O)F)CC2=O)ccc1C
InChIInChI=1S/C13H15FN2O4S/c1-8-3-4-10(5-12(8)15-9(2)17)16-7-11(6-13(16)18)21(14,19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17)
InChIKeyYQEUKHHGRWOEAW-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704795
1-(4-iodo-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714313
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714406
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
2-fluoro-5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715398
tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 168713501
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-[4-(3-methylbutanoylamino)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713559
1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713846
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713630) is 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(=O)Nc1cc(N2CC(S(=O)(=O)F)CC2=O)ccc1C.
What is the InChIKey of 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is YQEUKHHGRWOEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-8-3-4-10(5-12(8)15-9(2)17)16-7-11(6-13(16)18)21(14,19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 314.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).