4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C13H18BrFN2O2S — CID 103828938

IUPAC4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCNC1
InChIInChI=1S/C13H18BrFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeyBRDGAIPUPPIRBW-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.25
Rot. Bonds4

About 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 103828938) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID103828938
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCNC1
InChIInChI=1S/C13H18BrFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3
InChIKeyBRDGAIPUPPIRBW-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 103828938) is 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCNC1.
What is the InChIKey of 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is BRDGAIPUPPIRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103828938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).