N-(3-bromo-4-fluorophenyl)ethanesulfonamide

C8H9BrFNO2S — CID 104779628

IUPACN-(3-bromo-4-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyXCINNBCKEZQNRJ-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.35
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)ethanesulfonamide

N-(3-bromo-4-fluorophenyl)ethanesulfonamide (PubChem CID 104779628) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)ethanesulfonamide
PubChem CID104779628
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC NameN-(3-bromo-4-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyXCINNBCKEZQNRJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-[3-bromo-4-[(2,4-difluorophenyl)methyl]phenyl]ethanesulfonamide
CID 118030296
N-(4-fluoro-3-formylphenyl)ethanesulfonamide
CID 58259141
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
methyl 2-bromo-4-(ethylsulfonylamino)benzoate
CID 172609678
3-bromo-4-fluoro-N-propylaniline
CID 104776158
N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 166594055
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)ethanesulfonamide (CID 104779628) is N-(3-bromo-4-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)ethanesulfonamide?
The InChIKey is XCINNBCKEZQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)ethanesulfonamide?
N-(3-bromo-4-fluorophenyl)ethanesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 104779628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).