N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide

C8H10BrFN2O2S — CID 116527470

IUPACN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyAEFGOAPGAFNZNF-UHFFFAOYSA-N
MW297.15 g/mol
LogP0.83
Rot. Bonds4

About N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 116527470) has the molecular formula C8H10BrFN2O2S and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID116527470
Molecular FormulaC8H10BrFN2O2S
Molecular Weight297.15 g/mol
Exact Mass295.96
IUPAC NameN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyAEFGOAPGAFNZNF-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
CID 100648205
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide (CID 116527470) is N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide is NCCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is AEFGOAPGAFNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2.
What are the key properties of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide?
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 297.15 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).