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

C10H7BrClFN2O4S — CID 107914993

IUPAC5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2cc(F)c(S(=O)(=O)Cl)cc2Br)o1
InChIInChI=1S/C10H7BrClFN2O4S/c1-5-14-15-10(19-5)4-18-8-3-7(13)9(2-6(8)11)20(12,16)17/h2-3H,4H2,1H3
InChIKeyHYIOQTHSHYYSQP-UHFFFAOYSA-N
MW385.60 g/mol
LogP2.79
Rot. Bonds4

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

5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 107914993) has the molecular formula C10H7BrClFN2O4S and a molecular weight of 385.60 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID107914993
Molecular FormulaC10H7BrClFN2O4S
Molecular Weight385.60 g/mol
Exact Mass383.90
IUPAC Name5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2cc(F)c(S(=O)(=O)Cl)cc2Br)o1
InChIInChI=1S/C10H7BrClFN2O4S/c1-5-14-15-10(19-5)4-18-8-3-7(13)9(2-6(8)11)20(12,16)17/h2-3H,4H2,1H3
InChIKeyHYIOQTHSHYYSQP-UHFFFAOYSA-N
XLogP2.79
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-Bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 28782471
2-[(2-Bromo-4-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 28782472
2-[(2-Bromo-5-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 81495060
2-[(2-Bromo-5-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 81497329
5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914987
3,5-Difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914991
3,5-Difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914992
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-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915016
5-Bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915017
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 114015405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (CID 107914993) is 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is Cc1nnc(COc2cc(F)c(S(=O)(=O)Cl)cc2Br)o1.
What is the InChIKey of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is HYIOQTHSHYYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2O4S/c1-5-14-15-10(19-5)4-18-8-3-7(13)9(2-6(8)11)20(12,16)17/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
5-bromo-2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 385.60 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 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]benzenesulfonyl chloride is sourced from PubChem (CID 107914993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).