N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C15H19ClN2O3S — CID 156601678

IUPACN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-8-13-7-11(14)9-18(13)15(19)6-10-2-4-12(16)5-3-10/h2-5,11,13-14,17H,6-9H2,1H3
InChIKeyJXWSANAXSHYHMY-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.42
Rot. Bonds4

About N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601678) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601678
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-8-13-7-11(14)9-18(13)15(19)6-10-2-4-12(16)5-3-10/h2-5,11,13-14,17H,6-9H2,1H3
InChIKeyJXWSANAXSHYHMY-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3243460
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]methanesulfonamide
CID 156602063
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
2-(4-Chlorophenyl)-1-[4-(3-ethyl-1-methanesulfonylpyrrolidin-3-YL)piperazin-1-YL]ethan-1-one
CID 53194214
2-(4-Chlorophenyl)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 91910261
N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601680
N-[2-(2-phenylacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601682
N-[2-[2-(3-methylphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
CID 156601683

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601678) is N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is JXWSANAXSHYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-22(20,21)17-14-8-13-7-11(14)9-18(13)15(19)6-10-2-4-12(16)5-3-10/h2-5,11,13-14,17H,6-9H2,1H3.
What are the key properties of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 342.85 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).