N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

C15H18ClFN2O3S — CID 156602063

IUPACN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2
InChIInChI=1S/C15H18ClFN2O3S/c1-23(21,22)18-13-5-9-6-14(13)19(8-9)15(20)7-10-11(16)3-2-4-12(10)17/h2-4,9,13-14,18H,5-8H2,1H3
InChIKeyJMTDLHCSVNVFKP-UHFFFAOYSA-N
MW360.84 g/mol
LogP1.56
Rot. Bonds4

About N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (PubChem CID 156602063) has the molecular formula C15H18ClFN2O3S and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
PubChem CID156602063
Molecular FormulaC15H18ClFN2O3S
Molecular Weight360.84 g/mol
Exact Mass360.07
IUPAC NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2
InChIInChI=1S/C15H18ClFN2O3S/c1-23(21,22)18-13-5-9-6-14(13)19(8-9)15(20)7-10-11(16)3-2-4-12(10)17/h2-4,9,13-14,18H,5-8H2,1H3
InChIKeyJMTDLHCSVNVFKP-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 1245628
2-Chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-6-fluorobenzamide
CID 91910986
3-(2-chloro-6-fluorophenyl)-N-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 86265042
2-(2-Chloro-6-fluorophenyl)-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}acetamide
CID 91910999
N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601676
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
CID 156601952
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602163
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156602305
2-(2-chlorophenyl)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 49688260
N-[2-(3-phenylpropanoyl)-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
CID 156601629
N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601678
N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
CID 156602068

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (CID 156602063) is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2.
What is the InChIKey of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The InChIKey is JMTDLHCSVNVFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3S/c1-23(21,22)18-13-5-9-6-14(13)19(8-9)15(20)7-10-11(16)3-2-4-12(10)17/h2-4,9,13-14,18H,5-8H2,1H3.
What are the key properties of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide has a molecular weight of 360.84 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 156602063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).