N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide

C16H11ClN2O3S — CID 134822021

IUPACN-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
SMILESO=C(NO)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
InChIInChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)
InChIKeyFRUVCGVXUWSDQY-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.93
Rot. Bonds3

About N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide

N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide (PubChem CID 134822021) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
PubChem CID134822021
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC NameN-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
SMILESO=C(NO)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
InChIInChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)
InChIKeyFRUVCGVXUWSDQY-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide?
The IUPAC name of N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide (CID 134822021) is N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide?
The canonical SMILES for N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide is O=C(NO)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1.
What is the InChIKey of N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide?
The InChIKey is FRUVCGVXUWSDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20).
What are the key properties of N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide?
N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide is sourced from PubChem (CID 134822021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).