4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide

C13H18BrFN2O2S — CID 103697791

IUPAC4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(Br)c(F)c2)CCN1C
InChIInChI=1S/C13H18BrFN2O2S/c1-9-7-10(5-6-17(9)2)16-20(18,19)11-3-4-12(14)13(15)8-11/h3-4,8-10,16H,5-7H2,1-2H3
InChIKeyOEQUIGBVFPRFPP-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.35
Rot. Bonds3

About 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide

4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide (PubChem CID 103697791) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
PubChem CID103697791
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(Br)c(F)c2)CCN1C
InChIInChI=1S/C13H18BrFN2O2S/c1-9-7-10(5-6-17(9)2)16-20(18,19)11-3-4-12(14)13(15)8-11/h3-4,8-10,16H,5-7H2,1-2H3
InChIKeyOEQUIGBVFPRFPP-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614625
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide (CID 103697791) is 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(Br)c(F)c2)CCN1C.
What is the InChIKey of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The InChIKey is OEQUIGBVFPRFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-9-7-10(5-6-17(9)2)16-20(18,19)11-3-4-12(14)13(15)8-11/h3-4,8-10,16H,5-7H2,1-2H3.
What are the key properties of 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103697791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).