2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide

C12H10BrFN2O3S — CID 113454566

IUPAC2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O3S/c13-9-3-8(5-16-6-9)7-19-11-2-1-10(14)4-12(11)20(15,17)18/h1-6H,7H2,(H2,15,17,18)
InChIKeyBUUQVSODQSWUKT-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.21
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide

2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide (PubChem CID 113454566) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
PubChem CID113454566
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O3S/c13-9-3-8(5-16-6-9)7-19-11-2-1-10(14)4-12(11)20(15,17)18/h1-6H,7H2,(H2,15,17,18)
InChIKeyBUUQVSODQSWUKT-UHFFFAOYSA-N
XLogP2.21
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
CID 104796585
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 104797850
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide (CID 113454566) is 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1OCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide?
The InChIKey is BUUQVSODQSWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c13-9-3-8(5-16-6-9)7-19-11-2-1-10(14)4-12(11)20(15,17)18/h1-6H,7H2,(H2,15,17,18).
What are the key properties of 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide?
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 113454566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).