N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide

C13H19FN2O2S — CID 60865299

IUPACN-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-11-4-3-6-13(10-11)16-19(17,18)9-7-12-5-1-2-8-15-12/h3-4,6,10,12,15-16H,1-2,5,7-9H2
InChIKeyPIMWEGHBGODEHA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.10
Rot. Bonds5

About N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide

N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 60865299) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID60865299
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-11-4-3-6-13(10-11)16-19(17,18)9-7-12-5-1-2-8-15-12/h3-4,6,10,12,15-16H,1-2,5,7-9H2
InChIKeyPIMWEGHBGODEHA-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629695
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
CID 115071361
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide (CID 60865299) is N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide is O=S(=O)(CCC1CCCCN1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is PIMWEGHBGODEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-11-4-3-6-13(10-11)16-19(17,18)9-7-12-5-1-2-8-15-12/h3-4,6,10,12,15-16H,1-2,5,7-9H2.
What are the key properties of N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide?
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 60865299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).