N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide

C16H10F3NO2S — CID 129283308

IUPACN-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide
SMILESO=C(NO)c1ccc2sc(-c3cccc(C(F)(F)F)c3)cc2c1
InChIInChI=1S/C16H10F3NO2S/c17-16(18,19)12-3-1-2-9(7-12)14-8-11-6-10(15(21)20-22)4-5-13(11)23-14/h1-8,22H,(H,20,21)
InChIKeyMNNONRQHUOGXID-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.71
Rot. Bonds2

About N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide

N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide (PubChem CID 129283308) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide
PubChem CID129283308
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC NameN-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide
SMILESO=C(NO)c1ccc2sc(-c3cccc(C(F)(F)F)c3)cc2c1
InChIInChI=1S/C16H10F3NO2S/c17-16(18,19)12-3-1-2-9(7-12)14-8-11-6-10(15(21)20-22)4-5-13(11)23-14/h1-8,22H,(H,20,21)
InChIKeyMNNONRQHUOGXID-UHFFFAOYSA-N
XLogP4.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.71
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 N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide?
The IUPAC name of N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide (CID 129283308) is N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide is O=C(NO)c1ccc2sc(-c3cccc(C(F)(F)F)c3)cc2c1.
What is the InChIKey of N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide?
The InChIKey is MNNONRQHUOGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c17-16(18,19)12-3-1-2-9(7-12)14-8-11-6-10(15(21)20-22)4-5-13(11)23-14/h1-8,22H,(H,20,21).
What are the key properties of N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide?
N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide has a molecular weight of 337.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 129283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).