4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide

C18H18BrFN2O3S — CID 108563627

IUPAC4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H18BrFN2O3S/c19-13-5-7-15(8-6-13)26(24,25)21-14-9-11-22(12-10-14)18(23)16-3-1-2-4-17(16)20/h1-8,14,21H,9-12H2
InChIKeyRDLVOIVMZTUERL-UHFFFAOYSA-N
MW441.32 g/mol
LogP3.17
Rot. Bonds4

About 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide

4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108563627) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108563627
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC Name4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H18BrFN2O3S/c19-13-5-7-15(8-6-13)26(24,25)21-14-9-11-22(12-10-14)18(23)16-3-1-2-4-17(16)20/h1-8,14,21H,9-12H2
InChIKeyRDLVOIVMZTUERL-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34347056
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 71796819
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide (CID 108563627) is 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide is O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is RDLVOIVMZTUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c19-13-5-7-15(8-6-13)26(24,25)21-14-9-11-22(12-10-14)18(23)16-3-1-2-4-17(16)20/h1-8,14,21H,9-12H2.
What are the key properties of 4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide?
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 441.32 g/mol, XLogP of 3.17, 4 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-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108563627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).