4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide

C8H9BrFNO2S — CID 59206747

IUPAC4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-11(2)14(12,13)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKeyCJGCHKJXGSZNJN-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.84
Rot. Bonds2

About 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide

4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 59206747) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID59206747
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC Name4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2S/c1-11(2)14(12,13)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKeyCJGCHKJXGSZNJN-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide (CID 59206747) is 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is CJGCHKJXGSZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-11(2)14(12,13)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide?
4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 59206747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).