4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide

C13H17BrFNO2S — CID 103697627

IUPAC4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCC1
InChIInChI=1S/C13H17BrFNO2S/c1-9(10-4-2-3-5-10)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,2-5H2,1H3
InChIKeyBRZLZTZHZSBWNC-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.45
Rot. Bonds4

About 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide

4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide (PubChem CID 103697627) has the molecular formula C13H17BrFNO2S and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
PubChem CID103697627
Molecular FormulaC13H17BrFNO2S
Molecular Weight350.25 g/mol
Exact Mass349.01
IUPAC Name4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCC1
InChIInChI=1S/C13H17BrFNO2S/c1-9(10-4-2-3-5-10)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,2-5H2,1H3
InChIKeyBRZLZTZHZSBWNC-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
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-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide (CID 103697627) is 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide?
The InChIKey is BRZLZTZHZSBWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2S/c1-9(10-4-2-3-5-10)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,2-5H2,1H3.
What are the key properties of 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide has a molecular weight of 350.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103697627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).