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

C11H14BrFN2O2S — CID 116527910

IUPACN-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-8-3-4-11(9(13)5-8)18(16,17)15-10(6-14)7-1-2-7/h3-5,7,10,15H,1-2,6,14H2
InChIKeyNWKWEISPTOCAIH-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.60
Rot. Bonds5

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

N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 116527910) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID116527910
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-8-3-4-11(9(13)5-8)18(16,17)15-10(6-14)7-1-2-7/h3-5,7,10,15H,1-2,6,14H2
InChIKeyNWKWEISPTOCAIH-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide (CID 116527910) is N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide is NCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is NWKWEISPTOCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-8-3-4-11(9(13)5-8)18(16,17)15-10(6-14)7-1-2-7/h3-5,7,10,15H,1-2,6,14H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 337.21 g/mol, XLogP of 1.60, 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-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).