N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide

C13H16BrFN2O3S — CID 60706031

IUPACN-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H16BrFN2O3S/c1-21(19,20)16-10-4-6-17(7-5-10)13(18)11-8-9(15)2-3-12(11)14/h2-3,8,10,16H,4-7H2,1H3
InChIKeyQSKCETIYUWABSH-UHFFFAOYSA-N
MW379.25 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 60706031) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
PubChem CID60706031
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC NameN-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C13H16BrFN2O3S/c1-21(19,20)16-10-4-6-17(7-5-10)13(18)11-8-9(15)2-3-12(11)14/h2-3,8,10,16H,4-7H2,1H3
InChIKeyQSKCETIYUWABSH-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86924757
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-fluorophenyl)methanone
CID 43407318

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide (CID 60706031) is N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is QSKCETIYUWABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-21(19,20)16-10-4-6-17(7-5-10)13(18)11-8-9(15)2-3-12(11)14/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 379.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 60706031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).