N-(4-bromo-2-fluorophenyl)ethanesulfonamide

C8H9BrFNO2S — CID 3319661

IUPACN-(4-bromo-2-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCRIDJPWLUNWFJO-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.35
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)ethanesulfonamide

N-(4-bromo-2-fluorophenyl)ethanesulfonamide (PubChem CID 3319661) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)ethanesulfonamide
PubChem CID3319661
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC NameN-(4-bromo-2-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCRIDJPWLUNWFJO-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)ethanesulfonamide (CID 3319661) is N-(4-bromo-2-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)ethanesulfonamide?
The InChIKey is CRIDJPWLUNWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-2-14(12,13)11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)ethanesulfonamide?
N-(4-bromo-2-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-(4-bromo-2-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 3319661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).