5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide

C10H9BrFN3O4S — CID 107915017

IUPAC5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2cc(F)c(S(N)(=O)=O)cc2Br)o1
InChIInChI=1S/C10H9BrFN3O4S/c1-5-14-15-10(19-5)4-18-8-3-7(12)9(2-6(8)11)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17)
InChIKeyUNPNJHUGOMCMDF-UHFFFAOYSA-N
MW366.17 g/mol
LogP1.51
Rot. Bonds4

About 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide

5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 107915017) has the molecular formula C10H9BrFN3O4S and a molecular weight of 366.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID107915017
Molecular FormulaC10H9BrFN3O4S
Molecular Weight366.17 g/mol
Exact Mass364.95
IUPAC Name5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nnc(COc2cc(F)c(S(N)(=O)=O)cc2Br)o1
InChIInChI=1S/C10H9BrFN3O4S/c1-5-14-15-10(19-5)4-18-8-3-7(12)9(2-6(8)11)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17)
InChIKeyUNPNJHUGOMCMDF-UHFFFAOYSA-N
XLogP1.51
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-Bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 28782472
2-[(2-Bromo-5-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 81497329
3,5-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914992
5-Bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914993
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107914999
2,3-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915010
3,5-Difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915015
3,5-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915016
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 114015405
2,3-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 114015408
5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 114015414
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 103760308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (CID 107915017) is 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is Cc1nnc(COc2cc(F)c(S(N)(=O)=O)cc2Br)o1.
What is the InChIKey of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is UNPNJHUGOMCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O4S/c1-5-14-15-10(19-5)4-18-8-3-7(12)9(2-6(8)11)20(13,16)17/h2-3H,4H2,1H3,(H2,13,16,17).
What are the key properties of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 366.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 107915017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).