4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide

C14H19BrFNO2S — CID 107649910

IUPAC4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO2S/c15-13-9-8-12(10-14(13)16)20(18,19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7H2
InChIKeyKWALSJGFIOMXPK-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide

4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide (PubChem CID 107649910) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
PubChem CID107649910
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO2S/c15-13-9-8-12(10-14(13)16)20(18,19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7H2
InChIKeyKWALSJGFIOMXPK-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

N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide (CID 107649910) is 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide?
The InChIKey is KWALSJGFIOMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c15-13-9-8-12(10-14(13)16)20(18,19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7H2.
What are the key properties of 4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide?
4-bromo-N-cyclooctyl-3-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-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107649910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).