N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide

C14H15ClN2O2S — CID 80704497

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NC2CC3CCC2C3)c1
InChIInChI=1S/C14H15ClN2O2S/c15-12-4-2-10(8-16)7-14(12)20(18,19)17-13-6-9-1-3-11(13)5-9/h2,4,7,9,11,13,17H,1,3,5-6H2
InChIKeyPTZVQOKBLCZBED-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.68
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80704497) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80704497
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NC2CC3CCC2C3)c1
InChIInChI=1S/C14H15ClN2O2S/c15-12-4-2-10(8-16)7-14(12)20(18,19)17-13-6-9-1-3-11(13)5-9/h2,4,7,9,11,13,17H,1,3,5-6H2
InChIKeyPTZVQOKBLCZBED-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989444
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
2-chloro-5-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 80704097
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
CID 11612292
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide (CID 80704497) is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC3CCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is PTZVQOKBLCZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-12-4-2-10(8-16)7-14(12)20(18,19)17-13-6-9-1-3-11(13)5-9/h2,4,7,9,11,13,17H,1,3,5-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.68, 3 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]heptanyl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80704497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).