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

C11H11BrClN3O4S — CID 82913698

IUPAC5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
SMILESCCc1noc(COc2c(Cl)cc(Br)cc2S(N)(=O)=O)n1
InChIInChI=1S/C11H11BrClN3O4S/c1-2-9-15-10(20-16-9)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3,(H2,14,17,18)
InChIKeyILMREVFHHGDHTL-UHFFFAOYSA-N
MW396.65 g/mol
LogP2.27
Rot. Bonds5

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

5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide (PubChem CID 82913698) has the molecular formula C11H11BrClN3O4S and a molecular weight of 396.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
PubChem CID82913698
Molecular FormulaC11H11BrClN3O4S
Molecular Weight396.65 g/mol
Exact Mass394.93
IUPAC Name5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
SMILESCCc1noc(COc2c(Cl)cc(Br)cc2S(N)(=O)=O)n1
InChIInChI=1S/C11H11BrClN3O4S/c1-2-9-15-10(20-16-9)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3,(H2,14,17,18)
InChIKeyILMREVFHHGDHTL-UHFFFAOYSA-N
XLogP2.27
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide (CID 82913698) is 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide is CCc1noc(COc2c(Cl)cc(Br)cc2S(N)(=O)=O)n1.
What is the InChIKey of 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The InChIKey is ILMREVFHHGDHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O4S/c1-2-9-15-10(20-16-9)5-19-11-7(13)3-6(12)4-8(11)21(14,17)18/h3-4H,2,5H2,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide has a molecular weight of 396.65 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82913698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).