4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide

C11H15BrFNO2S — CID 103697155

IUPAC4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-3-8(4-2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3
InChIKeySKHMALYSZJRBHB-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.06
Rot. Bonds5

About 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide

4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide (PubChem CID 103697155) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
PubChem CID103697155
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-3-8(4-2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3
InChIKeySKHMALYSZJRBHB-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide (CID 103697155) is 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is SKHMALYSZJRBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-3-8(4-2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide?
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 103697155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).