7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide

C10H8FNO2S — CID 71714525

IUPAC7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cc(C(=O)NO)sc2c1F
InChIInChI=1S/C10H8FNO2S/c1-5-2-3-6-4-7(10(13)12-14)15-9(6)8(5)11/h2-4,14H,1H3,(H,12,13)
InChIKeyLYHGOWJNBJFFDC-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.47
Rot. Bonds1

About 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide

7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 71714525) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID71714525
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cc(C(=O)NO)sc2c1F
InChIInChI=1S/C10H8FNO2S/c1-5-2-3-6-4-7(10(13)12-14)15-9(6)8(5)11/h2-4,14H,1H3,(H,12,13)
InChIKeyLYHGOWJNBJFFDC-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.47
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 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide (CID 71714525) is 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2cc(C(=O)NO)sc2c1F.
What is the InChIKey of 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LYHGOWJNBJFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c1-5-2-3-6-4-7(10(13)12-14)15-9(6)8(5)11/h2-4,14H,1H3,(H,12,13).
What are the key properties of 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide?
7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 225.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-hydroxy-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71714525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).