N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide

C14H20ClFN2O2S — CID 86854125

IUPACN-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)17-11-5-8-18(9-6-11)10-7-12-13(15)3-2-4-14(12)16/h2-4,11,17H,5-10H2,1H3
InChIKeyDNOOMFSDCWPTBX-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.04
Rot. Bonds5

About N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 86854125) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID86854125
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC NameN-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)17-11-5-8-18(9-6-11)10-7-12-13(15)3-2-4-14(12)16/h2-4,11,17H,5-10H2,1H3
InChIKeyDNOOMFSDCWPTBX-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide (CID 86854125) is N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(CCc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DNOOMFSDCWPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-21(19,20)17-11-5-8-18(9-6-11)10-7-12-13(15)3-2-4-14(12)16/h2-4,11,17H,5-10H2,1H3.
What are the key properties of N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 86854125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).