5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide

C15H9Cl2NO2S — CID 54693832

IUPAC5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sc2ccc(Cl)cc2c1O
InChIInChI=1S/C15H9Cl2NO2S/c16-8-2-1-3-10(6-8)18-15(20)14-13(19)11-7-9(17)4-5-12(11)21-14/h1-7,19H,(H,18,20)
InChIKeyADEIYSVRZSQYLV-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.17
Rot. Bonds2

About 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide

5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 54693832) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID54693832
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sc2ccc(Cl)cc2c1O
InChIInChI=1S/C15H9Cl2NO2S/c16-8-2-1-3-10(6-8)18-15(20)14-13(19)11-7-9(17)4-5-12(11)21-14/h1-7,19H,(H,18,20)
InChIKeyADEIYSVRZSQYLV-UHFFFAOYSA-N
XLogP5.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-amino-N-(3-chlorophenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289102
N-[4-[2-(4-chlorophenyl)ethyl]phenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 154375130
6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide
CID 54690137
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 54738720
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide (CID 54693832) is 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1sc2ccc(Cl)cc2c1O.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is ADEIYSVRZSQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c16-8-2-1-3-10(6-8)18-15(20)14-13(19)11-7-9(17)4-5-12(11)21-14/h1-7,19H,(H,18,20).
What are the key properties of 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide?
5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 338.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 54693832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).