N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 115309326

IUPACN-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C14H20F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5,9,17H2
InChIKeyWWUYZFQUJXAZRV-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.15
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide (PubChem CID 115309326) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
PubChem CID115309326
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C14H20F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5,9,17H2
InChIKeyWWUYZFQUJXAZRV-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide (CID 115309326) is N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide is NCC(NS(=O)(=O)c1cc(F)cc(F)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is WWUYZFQUJXAZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14,18H,1-5,9,17H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 115309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).