N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide

C13H18BrFN2O2S — CID 106737796

IUPACN-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C13H18BrFN2O2S/c14-10-5-6-13(11(15)7-10)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyAELCVWFEQAIWAD-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.38
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 106737796) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID106737796
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C13H18BrFN2O2S/c14-10-5-6-13(11(15)7-10)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyAELCVWFEQAIWAD-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
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)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide (CID 106737796) is N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide is NCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is AELCVWFEQAIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c14-10-5-6-13(11(15)7-10)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.38, 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-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106737796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).