4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide

C12H17BrFNO2S — CID 116528564

IUPAC4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO2S/c1-3-4-5-9(2)15-18(16,17)12-7-6-10(13)8-11(12)14/h6-9,15H,3-5H2,1-2H3
InChIKeySQXVERDSUSACMJ-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.45
Rot. Bonds6

About 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide

4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide (PubChem CID 116528564) has the molecular formula C12H17BrFNO2S and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
PubChem CID116528564
Molecular FormulaC12H17BrFNO2S
Molecular Weight338.24 g/mol
Exact Mass337.01
IUPAC Name4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO2S/c1-3-4-5-9(2)15-18(16,17)12-7-6-10(13)8-11(12)14/h6-9,15H,3-5H2,1-2H3
InChIKeySQXVERDSUSACMJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-bromo-N-heptan-2-yl-2-(trifluoromethoxy)benzenesulfonamide
CID 3427000
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
CID 116527541
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide (CID 116528564) is 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide?
The InChIKey is SQXVERDSUSACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2S/c1-3-4-5-9(2)15-18(16,17)12-7-6-10(13)8-11(12)14/h6-9,15H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide?
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide has a molecular weight of 338.24 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide is sourced from PubChem (CID 116528564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).