N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

C10H6F3NO2S — CID 19985580

IUPACN-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(17-7)9(15)14-16/h1-4,16H,(H,14,15)
InChIKeyUQNAPMGHESZMOK-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.04
Rot. Bonds1

About N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (PubChem CID 19985580) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
PubChem CID19985580
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC NameN-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(17-7)9(15)14-16/h1-4,16H,(H,14,15)
InChIKeyUQNAPMGHESZMOK-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.04
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-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (CID 19985580) is N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UQNAPMGHESZMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(17-7)9(15)14-16/h1-4,16H,(H,14,15).
What are the key properties of N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 261.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19985580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).