4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

C13H11BrN2O3S — CID 14696409

IUPAC4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOc1ccc(Br)c2cc(CC3=NS(=O)ON3)ccc12
InChIInChI=1S/C13H11BrN2O3S/c1-18-12-5-4-11(14)10-6-8(2-3-9(10)12)7-13-15-19-20(17)16-13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIBEAKRROELHOQJ-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.67
Rot. Bonds3

About 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14696409) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14696409
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESCOc1ccc(Br)c2cc(CC3=NS(=O)ON3)ccc12
InChIInChI=1S/C13H11BrN2O3S/c1-18-12-5-4-11(14)10-6-8(2-3-9(10)12)7-13-15-19-20(17)16-13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyIBEAKRROELHOQJ-UHFFFAOYSA-N
XLogP2.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696394
4-[(1-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696397
4-[(7-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696410
4-[(5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696418
4-[(6-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696421
4-[(4-bromo-1-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696424
4-[(3-bromo-4-methoxynaphthalen-1-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14696430
4-[(4-bromo-1-methoxynaphthalen-2-yl)methyl]-3H-1,2,3,5-oxathiadiazole
CID 57164650
4-[(7-methoxynaphthalen-1-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 102434728

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14696409) is 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is COc1ccc(Br)c2cc(CC3=NS(=O)ON3)ccc12.
What is the InChIKey of 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is IBEAKRROELHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-18-12-5-4-11(14)10-6-8(2-3-9(10)12)7-13-15-19-20(17)16-13/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 355.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-5-methoxynaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14696409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).