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

C13H18BrFN2O2S — CID 114383117

IUPAC4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(14)7-11(13)15/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyCKFZNUAZCZVOHN-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.21
Rot. Bonds3

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

4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 114383117) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
PubChem CID114383117
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(14)7-11(13)15/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyCKFZNUAZCZVOHN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
3-amino-2-bromo-5-chloro-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114502876
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (CID 114383117) is 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is CKFZNUAZCZVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(14)7-11(13)15/h3-4,7,9,12,16H,5-6,8H2,1-2H3.
What are the key properties of 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114383117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).