3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide

C11H16BrFN2O2S — CID 120713919

IUPAC3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2O2S/c1-3-14-8(2)7-15-18(16,17)10-6-4-5-9(12)11(10)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyLRWJMJQOFYRWCS-MRVPVSSYSA-N
MW339.23 g/mol
LogP1.86
Rot. Bonds6

About 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide

3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide (PubChem CID 120713919) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
PubChem CID120713919
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC Name3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2O2S/c1-3-14-8(2)7-15-18(16,17)10-6-4-5-9(12)11(10)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyLRWJMJQOFYRWCS-MRVPVSSYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
N-[(2R)-2-(ethylamino)propyl]-2-methyl-3-nitrobenzenesulfonamide
CID 120664804
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-(3-aminopropyl)-3-bromo-2-fluorobenzenesulfonamide
CID 120706743
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120713904
2-bromo-6-chloro-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664453

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide (CID 120713919) is 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide?
The InChIKey is LRWJMJQOFYRWCS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-3-14-8(2)7-15-18(16,17)10-6-4-5-9(12)11(10)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide?
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide has a molecular weight of 339.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 120713919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).