5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide

C12H17BrFNO2S — CID 146223587

IUPAC5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide
SMILESCCc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H17BrFNO2S/c1-5-8-6-10(14)9(13)7-11(8)18(16,17)15-12(2,3)4/h6-7,15H,5H2,1-4H3
InChIKeyNIJDFARANAVDFT-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide

5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide (PubChem CID 146223587) has the molecular formula C12H17BrFNO2S and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide
PubChem CID146223587
Molecular FormulaC12H17BrFNO2S
Molecular Weight338.24 g/mol
Exact Mass337.01
IUPAC Name5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide
SMILESCCc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H17BrFNO2S/c1-5-8-6-10(14)9(13)7-11(8)18(16,17)15-12(2,3)4/h6-7,15H,5H2,1-4H3
InChIKeyNIJDFARANAVDFT-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 4820928
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
4'-bromo-3'-fluoro-N-methyl-[1,1'-biphenyl]-2-sulfonamide
CID 90313155
5-Bromo-N-tert-butyl-2-fluorobenzenesulfonamide
CID 110760986
5-Bromo-N-(tert-butyl)-2,4-difluorobenzenesulfonamide
CID 117626612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide (CID 146223587) is 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide is CCc1cc(F)c(Br)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is NIJDFARANAVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2S/c1-5-8-6-10(14)9(13)7-11(8)18(16,17)15-12(2,3)4/h6-7,15H,5H2,1-4H3.
What are the key properties of 5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide?
5-bromo-N-tert-butyl-2-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 338.24 g/mol, XLogP of 3.23, 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-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 146223587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).