N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide

C16H20N2O2S — CID 63683358

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c17-9-14-3-1-2-4-15(14)11-21(19,20)18-10-16-8-12-5-6-13(16)7-12/h1-4,12-13,16,18H,5-8,10-11H2
InChIKeyHPMPJRUSDGXTAB-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.41
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 63683358) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
PubChem CID63683358
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c17-9-14-3-1-2-4-15(14)11-21(19,20)18-10-16-8-12-5-6-13(16)7-12/h1-4,12-13,16,18H,5-8,10-11H2
InChIKeyHPMPJRUSDGXTAB-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
1-(2-cyanophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 60734497
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
CID 80720289
1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
CID 80713021
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
CID 11923494
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-nitrobenzenesulfonamide
CID 4003655
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-nitrobenzenesulfonamide
CID 7064921
1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63997155
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide (CID 63683358) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is HPMPJRUSDGXTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-9-14-3-1-2-4-15(14)11-21(19,20)18-10-16-8-12-5-6-13(16)7-12/h1-4,12-13,16,18H,5-8,10-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 63683358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).