N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide

C13H19FN2O2S — CID 110362270

IUPACN-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-2-19(17,18)15-13-10-11(6-7-12(13)14)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyDJUJUNYBPXFDRC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.58
Rot. Bonds4

About N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide

N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide (PubChem CID 110362270) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
PubChem CID110362270
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-2-19(17,18)15-13-10-11(6-7-12(13)14)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyDJUJUNYBPXFDRC-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(3,5-difluoro-4-piperidin-1-ylphenyl)ethanesulfonamide
CID 91661194
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide?
The IUPAC name of N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide (CID 110362270) is N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide?
The canonical SMILES for N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(N2CCCCC2)ccc1F.
What is the InChIKey of N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide?
The InChIKey is DJUJUNYBPXFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-19(17,18)15-13-10-11(6-7-12(13)14)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3.
What are the key properties of N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide?
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 110362270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).