N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide

C16H20N2O2S — CID 43080895

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c1-11(16-9-13-2-5-14(16)8-13)18-21(19,20)15-6-3-12(10-17)4-7-15/h3-4,6-7,11,13-14,16,18H,2,5,8-9H2,1H3
InChIKeyJEXKZVYMSRFEPM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide (PubChem CID 43080895) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
PubChem CID43080895
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H20N2O2S/c1-11(16-9-13-2-5-14(16)8-13)18-21(19,20)15-6-3-12(10-17)4-7-15/h3-4,6-7,11,13-14,16,18H,2,5,8-9H2,1H3
InChIKeyJEXKZVYMSRFEPM-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 ≤ 500304.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721
6-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyridine-3-sulfonamide
CID 62148889
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-(cyanomethylsulfanyl)acetamide
CID 43071742
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
cis-(1S,2R)-N-[4-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 124838412

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide (CID 43080895) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(C#N)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide?
The InChIKey is JEXKZVYMSRFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(16-9-13-2-5-14(16)8-13)18-21(19,20)15-6-3-12(10-17)4-7-15/h3-4,6-7,11,13-14,16,18H,2,5,8-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide has a molecular weight of 304.42 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]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 43080895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).