5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide

C11H13Br3FNO2S — CID 146223555

IUPAC5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Br)c(F)cc1C(Br)Br
InChIInChI=1S/C11H13Br3FNO2S/c1-11(2,3)16-19(17,18)9-5-7(12)8(15)4-6(9)10(13)14/h4-5,10,16H,1-3H3
InChIKeyWEBAAPPXPXUOCG-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide

5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide (PubChem CID 146223555) has the molecular formula C11H13Br3FNO2S and a molecular weight of 482.01 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide
PubChem CID146223555
Molecular FormulaC11H13Br3FNO2S
Molecular Weight482.01 g/mol
Exact Mass478.82
IUPAC Name5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Br)c(F)cc1C(Br)Br
InChIInChI=1S/C11H13Br3FNO2S/c1-11(2,3)16-19(17,18)9-5-7(12)8(15)4-6(9)10(13)14/h4-5,10,16H,1-3H3
InChIKeyWEBAAPPXPXUOCG-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
5-bromo-N,2-dimethylbenzene-1-sulfonamide
CID 8777805
7-bromo-3-butyl-2H-1lambda6,2-benzothiazine 1,1-dioxide
CID 156010424
N-tert-butyl-4-bromomethyl-2-fluorobenzenesulfonamide
CID 10881860
5-Bromo-4-fluoro-2-methylbenzenesulfonamide
CID 50998619
3-Bromo-5-fluoro-2-methylbenzene-1-sulfonamide
CID 67059052
2-bromo-N-(2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 68688168
4-bromo-N-(tert-butyl)-2-(trifluoromethyl)benzenesulfonamide
CID 89602832
4'-Bromo-N-(tert-butyl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 90313076
5-Bromo-N-tert-butyl-2-fluorobenzenesulfonamide
CID 110760986
5-Bromo-N-(tert-butyl)-2,4-difluorobenzenesulfonamide
CID 117626612
5-bromo-4-fluoro-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 118469852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide (CID 146223555) is 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(Br)c(F)cc1C(Br)Br.
What is the InChIKey of 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide?
The InChIKey is WEBAAPPXPXUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br3FNO2S/c1-11(2,3)16-19(17,18)9-5-7(12)8(15)4-6(9)10(13)14/h4-5,10,16H,1-3H3.
What are the key properties of 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide?
5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide has a molecular weight of 482.01 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-(dibromomethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 146223555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).