5-bromo-4-fluoro-2-methylbenzenesulfonamide

C7H7BrFNO2S — CID 50998619

IUPAC5-bromo-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrFNO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyUZJJWMNVEVZGIR-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-4-fluoro-2-methylbenzenesulfonamide

5-bromo-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 50998619) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methylbenzenesulfonamide
PubChem CID50998619
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name5-bromo-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrFNO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyUZJJWMNVEVZGIR-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-fluoro-2-methylbenzenesulfonamide 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 5-bromo-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-4-fluoro-2-methylbenzenesulfonamide (CID 50998619) is 5-bromo-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)c(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UZJJWMNVEVZGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-fluoro-2-methylbenzenesulfonamide?
5-bromo-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 50998619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).