N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

C17H18BrFN2O4S — CID 60511603

IUPACN-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCc1cc(Br)oc1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18BrFN2O4S/c1-11-10-15(18)25-16(11)17(22)21-8-6-13(7-9-21)20-26(23,24)14-4-2-12(19)3-5-14/h2-5,10,13,20H,6-9H2,1H3
InChIKeyIICICONEVGFIRU-UHFFFAOYSA-N
MW445.31 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 60511603) has the molecular formula C17H18BrFN2O4S and a molecular weight of 445.31 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID60511603
Molecular FormulaC17H18BrFN2O4S
Molecular Weight445.31 g/mol
Exact Mass444.02
IUPAC NameN-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCc1cc(Br)oc1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18BrFN2O4S/c1-11-10-15(18)25-16(11)17(22)21-8-6-13(7-9-21)20-26(23,24)14-4-2-12(19)3-5-14/h2-5,10,13,20H,6-9H2,1H3
InChIKeyIICICONEVGFIRU-UHFFFAOYSA-N
XLogP3.07
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
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
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38813023
4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38812623
4-fluoro-N-[1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 34345790
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 60511603) is N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is Cc1cc(Br)oc1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is IICICONEVGFIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O4S/c1-11-10-15(18)25-16(11)17(22)21-8-6-13(7-9-21)20-26(23,24)14-4-2-12(19)3-5-14/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 445.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60511603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).