2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H15BrFNO2S — CID 47204730

IUPAC2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(13)7-9(10)12/h5-7,14H,4H2,1-3H3
InChIKeyFVMDINWSYIZZQG-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 47204730) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID47204730
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(13)7-9(10)12/h5-7,14H,4H2,1-3H3
InChIKeyFVMDINWSYIZZQG-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 47204730) is 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is FVMDINWSYIZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(13)7-9(10)12/h5-7,14H,4H2,1-3H3.
What are the key properties of 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47204730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).