N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide

C13H16ClN3O2S — CID 80704769

IUPACN-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2N)c1
InChIInChI=1S/C13H16ClN3O2S/c14-10-6-5-9(8-15)7-13(10)20(18,19)17-12-4-2-1-3-11(12)16/h5-7,11-12,17H,1-4,16H2
InChIKeyWRASAORSTQNJSL-UHFFFAOYSA-N
MW313.81 g/mol
LogP1.76
Rot. Bonds3

About N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide

N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80704769) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80704769
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2N)c1
InChIInChI=1S/C13H16ClN3O2S/c14-10-6-5-9(8-15)7-13(10)20(18,19)17-12-4-2-1-3-11(12)16/h5-7,11-12,17H,1-4,16H2
InChIKeyWRASAORSTQNJSL-UHFFFAOYSA-N
XLogP1.76
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704497
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide (CID 80704769) is N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2N)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is WRASAORSTQNJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c14-10-6-5-9(8-15)7-13(10)20(18,19)17-12-4-2-1-3-11(12)16/h5-7,11-12,17H,1-4,16H2.
What are the key properties of N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide?
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80704769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).