3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

C14H20FN3O3S — CID 47790572

IUPAC3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-9-7-17(8-10-18)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyYQTBBLJNSRECBE-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.13
Rot. Bonds5

About 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (PubChem CID 47790572) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
PubChem CID47790572
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-9-7-17(8-10-18)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3,(H,16,19)
InChIKeyYQTBBLJNSRECBE-UHFFFAOYSA-N
XLogP0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 110397603
3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
CID 71782782
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
CID 110716408
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
CID 47848806

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (CID 47790572) is 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is YQTBBLJNSRECBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-22(20,21)18-9-7-17(8-10-18)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 47790572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).