2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

C13H18FN3O3S — CID 119403723

IUPAC2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(19,20)16-6-5-13(18)17-9-7-15-8-10-17/h1-4,15-16H,5-10H2
InChIKeyJXXFGYQNWFBRCW-UHFFFAOYSA-N
MW315.37 g/mol
LogP-0.07
Rot. Bonds5

About 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 119403723) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID119403723
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(19,20)16-6-5-13(18)17-9-7-15-8-10-17/h1-4,15-16H,5-10H2
InChIKeyJXXFGYQNWFBRCW-UHFFFAOYSA-N
XLogP-0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 141085915
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 119381616
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120749847
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119634497
2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586128
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
4-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119400810
2-fluoro-N-[3-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
CID 90590909
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide (CID 119403723) is 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1F)N1CCNCC1.
What is the InChIKey of 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is JXXFGYQNWFBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-11-3-1-2-4-12(11)21(19,20)16-6-5-13(18)17-9-7-15-8-10-17/h1-4,15-16H,5-10H2.
What are the key properties of 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 315.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 119403723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).