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

C12H14BrN3O4S — CID 82916766

IUPAC5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nc(COc2ccc(Br)cc2S(N)(=O)=O)no1
InChIInChI=1S/C12H14BrN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18)
InChIKeyIUSFWEYOTOIZHM-UHFFFAOYSA-N
MW376.23 g/mol
LogP2.18
Rot. Bonds5

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

5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82916766) has the molecular formula C12H14BrN3O4S and a molecular weight of 376.23 g/mol. Its IUPAC name is 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82916766
Molecular FormulaC12H14BrN3O4S
Molecular Weight376.23 g/mol
Exact Mass374.99
IUPAC Name5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nc(COc2ccc(Br)cc2S(N)(=O)=O)no1
InChIInChI=1S/C12H14BrN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18)
InChIKeyIUSFWEYOTOIZHM-UHFFFAOYSA-N
XLogP2.18
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (CID 82916766) is 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is CC(C)c1nc(COc2ccc(Br)cc2S(N)(=O)=O)no1.
What is the InChIKey of 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is IUSFWEYOTOIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4S/c1-7(2)12-15-11(16-20-12)6-19-9-4-3-8(13)5-10(9)21(14,17)18/h3-5,7H,6H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 376.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82916766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).