N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide

C16H20N2O2S — CID 4834284

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1C#N)C1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c1-11(15-9-12-6-7-13(15)8-12)18-21(19,20)16-5-3-2-4-14(16)10-17/h2-5,11-13,15,18H,6-9H2,1H3
InChIKeyLEURYXHHTBLNQU-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide (PubChem CID 4834284) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide
PubChem CID4834284
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1C#N)C1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c1-11(15-9-12-6-7-13(15)8-12)18-21(19,20)16-5-3-2-4-14(16)10-17/h2-5,11-13,15,18H,6-9H2,1H3
InChIKeyLEURYXHHTBLNQU-UHFFFAOYSA-N
XLogP2.66
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide (CID 4834284) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide is CC(NS(=O)(=O)c1ccccc1C#N)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide?
The InChIKey is LEURYXHHTBLNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(15-9-12-6-7-13(15)8-12)18-21(19,20)16-5-3-2-4-14(16)10-17/h2-5,11-13,15,18H,6-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 4834284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).