4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide

C9H6ClNO2S — CID 71714528

IUPAC4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2c(Cl)cccc2s1
InChIInChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKeyIHGVZTXLHUWVIA-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.67
Rot. Bonds1

About 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide

4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 71714528) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID71714528
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2c(Cl)cccc2s1
InChIInChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKeyIHGVZTXLHUWVIA-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide (CID 71714528) is 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2c(Cl)cccc2s1.
What is the InChIKey of 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is IHGVZTXLHUWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12).
What are the key properties of 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide?
4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 227.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71714528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).