4-bromo-N-ethyl-2-fluorobenzenesulfonamide

C8H9BrFNO2S — CID 116527445

IUPAC4-bromo-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-2-11-14(12,13)8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCYOYZDGTVNUWTF-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.89
Rot. Bonds3

About 4-bromo-N-ethyl-2-fluorobenzenesulfonamide

4-bromo-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 116527445) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID116527445
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC Name4-bromo-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-2-11-14(12,13)8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCYOYZDGTVNUWTF-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 116528715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-2-fluorobenzenesulfonamide (CID 116527445) is 4-bromo-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-2-fluorobenzenesulfonamide is CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is CYOYZDGTVNUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-2-11-14(12,13)8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2-fluorobenzenesulfonamide?
4-bromo-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).