3-bromo-5-fluoro-4-methylbenzenesulfonamide

C7H7BrFNO2S — CID 171005656

IUPAC3-bromo-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(F)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyFZJPHZCHLOZCQF-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.54
Rot. Bonds1

About 3-bromo-5-fluoro-4-methylbenzenesulfonamide

3-bromo-5-fluoro-4-methylbenzenesulfonamide (PubChem CID 171005656) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-methylbenzenesulfonamide
PubChem CID171005656
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name3-bromo-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(F)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyFZJPHZCHLOZCQF-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-4-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-fluoro-4-methylbenzenesulfonamide (CID 171005656) is 3-bromo-5-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-fluoro-4-methylbenzenesulfonamide is Cc1c(F)cc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-4-methylbenzenesulfonamide?
The InChIKey is FZJPHZCHLOZCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-5-fluoro-4-methylbenzenesulfonamide?
3-bromo-5-fluoro-4-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-4-methylbenzenesulfonamide is sourced from PubChem (CID 171005656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).