N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide

C15H20FN3O2S — CID 119983686

IUPACN-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F
InChIInChI=1S/C15H20FN3O2S/c16-14-7-6-13(8-12(14)9-17)22(20,21)19-15(10-18)11-4-2-1-3-5-11/h6-8,11,15,19H,1-5,10,18H2
InChIKeyYWPGCTJMVGXRES-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.88
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide (PubChem CID 119983686) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
PubChem CID119983686
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F
InChIInChI=1S/C15H20FN3O2S/c16-14-7-6-13(8-12(14)9-17)22(20,21)19-15(10-18)11-4-2-1-3-5-11/h6-8,11,15,19H,1-5,10,18H2
InChIKeyYWPGCTJMVGXRES-UHFFFAOYSA-N
XLogP1.88
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide (CID 119983686) is N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is YWPGCTJMVGXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c16-14-7-6-13(8-12(14)9-17)22(20,21)19-15(10-18)11-4-2-1-3-5-11/h6-8,11,15,19H,1-5,10,18H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 119983686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).