4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide

C14H19BrFNO2S — CID 116528049

IUPAC4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO2S/c15-11-8-9-14(13(16)10-11)20(18,19)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2
InChIKeyRHKPHWUAHKZYOV-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide

4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide (PubChem CID 116528049) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
PubChem CID116528049
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO2S/c15-11-8-9-14(13(16)10-11)20(18,19)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2
InChIKeyRHKPHWUAHKZYOV-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide (CID 116528049) is 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide?
The InChIKey is RHKPHWUAHKZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c15-11-8-9-14(13(16)10-11)20(18,19)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2.
What are the key properties of 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide?
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide has a molecular weight of 364.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).