N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide

C14H20F2N2O2S — CID 62617015

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O2S/c15-13-7-12(8-14(16)9-13)3-6-18-21(19,20)10-11-1-4-17-5-2-11/h7-9,11,17-18H,1-6,10H2
InChIKeyRNNLFYGECSAGSF-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide

N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 62617015) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID62617015
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O2S/c15-13-7-12(8-14(16)9-13)3-6-18-21(19,20)10-11-1-4-17-5-2-11/h7-9,11,17-18H,1-6,10H2
InChIKeyRNNLFYGECSAGSF-UHFFFAOYSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575
N-[2-(3,5-difluorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119759116
4-[3-(3,5-difluorophenyl)propyl]piperidine
CID 21180614
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 103008088
N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
CID 61236571
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 62615783
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 107575670
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
CID 63624166

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide (CID 62617015) is N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is RNNLFYGECSAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c15-13-7-12(8-14(16)9-13)3-6-18-21(19,20)10-11-1-4-17-5-2-11/h7-9,11,17-18H,1-6,10H2.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 62617015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).