3-bromo-5-fluoro-2-methylbenzenesulfonamide

C7H7BrFNO2S — CID 67059052

IUPAC3-bromo-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyJHEPQMIDISGJOH-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.54
Rot. Bonds1

About 3-bromo-5-fluoro-2-methylbenzenesulfonamide

3-bromo-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 67059052) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methylbenzenesulfonamide
PubChem CID67059052
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name3-bromo-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyJHEPQMIDISGJOH-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-fluoro-2-methylbenzenesulfonamide (CID 67059052) is 3-bromo-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-fluoro-2-methylbenzenesulfonamide is Cc1c(Br)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JHEPQMIDISGJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-5-fluoro-2-methylbenzenesulfonamide?
3-bromo-5-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 3-bromo-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 67059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).