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

C15H21BrFNO2S — CID 107650272

IUPAC4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFNO2S/c1-2-15(11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h8-11,15,18H,2-7H2,1H3
InChIKeyLFJAUUKXKZERGW-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.23
Rot. Bonds5

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

4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide (PubChem CID 107650272) has the molecular formula C15H21BrFNO2S and a molecular weight of 378.31 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
PubChem CID107650272
Molecular FormulaC15H21BrFNO2S
Molecular Weight378.31 g/mol
Exact Mass377.05
IUPAC Name4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFNO2S/c1-2-15(11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h8-11,15,18H,2-7H2,1H3
InChIKeyLFJAUUKXKZERGW-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
CID 63421394
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide
CID 62407787
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide (CID 107650272) is 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide?
The InChIKey is LFJAUUKXKZERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2S/c1-2-15(11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h8-11,15,18H,2-7H2,1H3.
What are the key properties of 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide has a molecular weight of 378.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).