3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C13H20FN3O2S — CID 63265596

IUPAC3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-5-15-6-8-17)20(18,19)13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3
InChIKeyJDIUAYDYLWALRD-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.35
Rot. Bonds5

About 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 63265596) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID63265596
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-5-15-6-8-17)20(18,19)13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3
InChIKeyJDIUAYDYLWALRD-UHFFFAOYSA-N
XLogP0.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265210
3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065125
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 55168867
3-amino-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207084
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63288906
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776578
3-fluoro-N-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide
CID 166402631
3,5-difluoro-N-[2-[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 67367030
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 63265596) is 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is CN(CCN1CCNCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is JDIUAYDYLWALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-5-15-6-8-17)20(18,19)13-4-2-3-12(14)11-13/h2-4,11,15H,5-10H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63265596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).