N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide

C9H11BrFNO2S — CID 118028252

IUPACN-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Br)c(C)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-3-15(13,14)12-9-5-7(10)6(2)4-8(9)11/h4-5,12H,3H2,1-2H3
InChIKeyLQRXLZPEQRJCTJ-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.66
Rot. Bonds3

About N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide

N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide (PubChem CID 118028252) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide
PubChem CID118028252
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC NameN-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Br)c(C)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-3-15(13,14)12-9-5-7(10)6(2)4-8(9)11/h4-5,12H,3H2,1-2H3
InChIKeyLQRXLZPEQRJCTJ-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide (CID 118028252) is N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(Br)c(C)cc1F.
What is the InChIKey of N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide?
The InChIKey is LQRXLZPEQRJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-3-15(13,14)12-9-5-7(10)6(2)4-8(9)11/h4-5,12H,3H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide?
N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluoro-4-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 118028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).