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

C11H9BrCl2N2O4S — CID 82912120

IUPAC5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCc1nc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)no1
InChIInChI=1S/C11H9BrCl2N2O4S/c1-2-10-15-9(16-20-10)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3
InChIKeyARYIANSYWQYBFU-UHFFFAOYSA-N
MW416.08 g/mol
LogP3.55
Rot. Bonds5

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

5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82912120) has the molecular formula C11H9BrCl2N2O4S and a molecular weight of 416.08 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82912120
Molecular FormulaC11H9BrCl2N2O4S
Molecular Weight416.08 g/mol
Exact Mass413.88
IUPAC Name5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCc1nc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)no1
InChIInChI=1S/C11H9BrCl2N2O4S/c1-2-10-15-9(16-20-10)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3
InChIKeyARYIANSYWQYBFU-UHFFFAOYSA-N
XLogP3.55
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82912120) is 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is CCc1nc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)no1.
What is the InChIKey of 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is ARYIANSYWQYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O4S/c1-2-10-15-9(16-20-10)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3.
What are the key properties of 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 416.08 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82912120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).