4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

C10H7ClN2O3S — CID 14819361

IUPAC4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2coc3ccc(Cl)cc23)NO1
InChIInChI=1S/C10H7ClN2O3S/c11-7-1-2-9-8(4-7)6(5-15-9)3-10-12-16-17(14)13-10/h1-2,4-5H,3H2,(H,12,13)
InChIKeyWSNXDFMYOUHAOA-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.14
Rot. Bonds2

About 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14819361) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14819361
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2coc3ccc(Cl)cc23)NO1
InChIInChI=1S/C10H7ClN2O3S/c11-7-1-2-9-8(4-7)6(5-15-9)3-10-12-16-17(14)13-10/h1-2,4-5H,3H2,(H,12,13)
InChIKeyWSNXDFMYOUHAOA-UHFFFAOYSA-N
XLogP2.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14819361) is 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(Cc2coc3ccc(Cl)cc23)NO1.
What is the InChIKey of 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is WSNXDFMYOUHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-7-1-2-9-8(4-7)6(5-15-9)3-10-12-16-17(14)13-10/h1-2,4-5H,3H2,(H,12,13).
What are the key properties of 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 270.70 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-benzofuran-3-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14819361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).