3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H19FN2O2S — CID 47206339

IUPAC3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2
InChIKeySPVHFMJEXKNKRO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.59
Rot. Bonds5

About 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 47206339) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID47206339
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2
InChIKeySPVHFMJEXKNKRO-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
3-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 44523819
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613926
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3-fluorobenzenesulfonamide
CID 21092396
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 47206339) is 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is SPVHFMJEXKNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2.
What are the key properties of 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47206339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).