3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C13H17FN2O3S — CID 2573541

IUPAC3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c14-11-4-1-5-12(10-11)20(18,19)15-7-3-9-16-8-2-6-13(16)17/h1,4-5,10,15H,2-3,6-9H2
InChIKeyMDLMSPIVDARQEG-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.12
Rot. Bonds6

About 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 2573541) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID2573541
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c14-11-4-1-5-12(10-11)20(18,19)15-7-3-9-16-8-2-6-13(16)17/h1,4-5,10,15H,2-3,6-9H2
InChIKeyMDLMSPIVDARQEG-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3-fluorobenzenesulfonamide
CID 21092396
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 2573541) is 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is MDLMSPIVDARQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-11-4-1-5-12(10-11)20(18,19)15-7-3-9-16-8-2-6-13(16)17/h1,4-5,10,15H,2-3,6-9H2.
What are the key properties of 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 2573541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).