N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide

C13H19FN2O2S — CID 60892291

IUPACN-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c14-12-1-3-13(4-2-12)16-19(17,18)10-7-11-5-8-15-9-6-11/h1-4,11,15-16H,5-10H2
InChIKeyMSCIBJXSKURYEU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.96
Rot. Bonds5

About N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide

N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 60892291) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID60892291
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c14-12-1-3-13(4-2-12)16-19(17,18)10-7-11-5-8-15-9-6-11/h1-4,11,15-16H,5-10H2
InChIKeyMSCIBJXSKURYEU-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
CID 58694755
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 82795263
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 61413367
N,N'-bis(4-fluorophenyl)methanedisulfonamide
CID 90121489
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide (CID 60892291) is N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide is O=S(=O)(CCC1CCNCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is MSCIBJXSKURYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-1-3-13(4-2-12)16-19(17,18)10-7-11-5-8-15-9-6-11/h1-4,11,15-16H,5-10H2.
What are the key properties of N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide?
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60892291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).