6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid

C14H6Cl2O4S — CID 12747905

IUPAC6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1
InChIInChI=1S/C14H6Cl2O4S/c15-10-7(12(17)9-2-1-3-21-9)4-6-5-8(14(18)19)20-13(6)11(10)16/h1-5H,(H,18,19)
InChIKeyOAAFTLSNPWZLRD-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.73
Rot. Bonds3

About 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid

6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid (PubChem CID 12747905) has the molecular formula C14H6Cl2O4S and a molecular weight of 341.17 g/mol. Its IUPAC name is 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid
PubChem CID12747905
Molecular FormulaC14H6Cl2O4S
Molecular Weight341.17 g/mol
Exact Mass339.94
IUPAC Name6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1
InChIInChI=1S/C14H6Cl2O4S/c15-10-7(12(17)9-2-1-3-21-9)4-6-5-8(14(18)19)20-13(6)11(10)16/h1-5H,(H,18,19)
InChIKeyOAAFTLSNPWZLRD-UHFFFAOYSA-N
XLogP4.73
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid (CID 12747905) is 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1.
What is the InChIKey of 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is OAAFTLSNPWZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O4S/c15-10-7(12(17)9-2-1-3-21-9)4-6-5-8(14(18)19)20-13(6)11(10)16/h1-5H,(H,18,19).
What are the key properties of 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid?
6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 341.17 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 12747905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).