N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide

C9H6N2O4S — CID 11736547

IUPACN-hydroxy-6-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C9H6N2O4S/c12-9(10-13)8-3-5-1-2-6(11(14)15)4-7(5)16-8/h1-4,13H,(H,10,12)
InChIKeyZROYOWQEZWTINE-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.93
Rot. Bonds2

About N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide

N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide (PubChem CID 11736547) has the molecular formula C9H6N2O4S and a molecular weight of 238.22 g/mol. Its IUPAC name is N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-nitro-1-benzothiophene-2-carboxamide
PubChem CID11736547
Molecular FormulaC9H6N2O4S
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC NameN-hydroxy-6-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C9H6N2O4S/c12-9(10-13)8-3-5-1-2-6(11(14)15)4-7(5)16-8/h1-4,13H,(H,10,12)
InChIKeyZROYOWQEZWTINE-UHFFFAOYSA-N
XLogP1.93
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide (CID 11736547) is N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide?
The InChIKey is ZROYOWQEZWTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4S/c12-9(10-13)8-3-5-1-2-6(11(14)15)4-7(5)16-8/h1-4,13H,(H,10,12).
What are the key properties of N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide?
N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide has a molecular weight of 238.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-nitro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11736547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).