N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide

C16H18BrFN2O3S — CID 167853183

IUPACN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)(COc1ncccc1Br)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H18BrFN2O3S/c1-16(2,11-23-15-14(17)7-4-8-19-15)20-24(21,22)10-12-5-3-6-13(18)9-12/h3-9,20H,10-11H2,1-2H3
InChIKeyXBYLLXDORXBIPB-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.26
Rot. Bonds7

About N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide

N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 167853183) has the molecular formula C16H18BrFN2O3S and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID167853183
Molecular FormulaC16H18BrFN2O3S
Molecular Weight417.30 g/mol
Exact Mass416.02
IUPAC NameN-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)(COc1ncccc1Br)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H18BrFN2O3S/c1-16(2,11-23-15-14(17)7-4-8-19-15)20-24(21,22)10-12-5-3-6-13(18)9-12/h3-9,20H,10-11H2,1-2H3
InChIKeyXBYLLXDORXBIPB-UHFFFAOYSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
CID 167798570
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
CID 71920939
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-4-methylmorpholine-2-carboxamide
CID 136516760
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35671432

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide (CID 167853183) is N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide is CC(C)(COc1ncccc1Br)NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is XBYLLXDORXBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O3S/c1-16(2,11-23-15-14(17)7-4-8-19-15)20-24(21,22)10-12-5-3-6-13(18)9-12/h3-9,20H,10-11H2,1-2H3.
What are the key properties of N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 417.30 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 167853183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).