N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide

C11H14BrFN2O2S — CID 120582565

IUPACN-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-5-8(3-4-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6,14H2
InChIKeyWQFWLLWVUKLCPD-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.60
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide (PubChem CID 120582565) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
PubChem CID120582565
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-5-8(3-4-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6,14H2
InChIKeyWQFWLLWVUKLCPD-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-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120582360
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide (CID 120582565) is N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide is NC(CNS(=O)(=O)c1ccc(F)c(Br)c1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide?
The InChIKey is WQFWLLWVUKLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-9-5-8(3-4-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6,14H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-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-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 120582565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).