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

C14H15ClN2O2S — CID 103989444

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

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

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide (PubChem CID 103989444) 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-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide
PubChem CID103989444
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-12-6-10(8-16)2-4-14(12)20(18,19)17-13-7-9-1-3-11(13)5-9/h2,4,6,9,11,13,17H,1,3,5,7H2
InChIKeyCWFRQAVHEATTKO-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-5-cyanobenzenesulfonamide
CID 80704497
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 103989437
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 125057999
3-chloro-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120875104
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide (CID 103989444) is N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide?
The InChIKey is CWFRQAVHEATTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-12-6-10(8-16)2-4-14(12)20(18,19)17-13-7-9-1-3-11(13)5-9/h2,4,6,9,11,13,17H,1,3,5,7H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-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-4-cyanobenzenesulfonamide is sourced from PubChem (CID 103989444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).