3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide

C8H9BrFNO2S — CID 154814253

IUPAC3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(S(N)(=O)=O)c(C)c1Br
InChIInChI=1S/C8H9BrFNO2S/c1-4-3-6(10)8(14(11,12)13)5(2)7(4)9/h3H,1-2H3,(H2,11,12,13)
InChIKeyITCRBIBIJLZJJN-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.85
Rot. Bonds1

About 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide

3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide (PubChem CID 154814253) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide
PubChem CID154814253
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC Name3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(S(N)(=O)=O)c(C)c1Br
InChIInChI=1S/C8H9BrFNO2S/c1-4-3-6(10)8(14(11,12)13)5(2)7(4)9/h3H,1-2H3,(H2,11,12,13)
InChIKeyITCRBIBIJLZJJN-UHFFFAOYSA-N
XLogP1.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide (CID 154814253) is 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide is Cc1cc(F)c(S(N)(=O)=O)c(C)c1Br.
What is the InChIKey of 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide?
The InChIKey is ITCRBIBIJLZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-4-3-6(10)8(14(11,12)13)5(2)7(4)9/h3H,1-2H3,(H2,11,12,13).
What are the key properties of 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide?
3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 154814253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).