3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide

C15H10ClNO2S — CID 732272

IUPAC3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNO2S/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)17-10-6-2-3-7-11(10)18/h1-8,18H,(H,17,19)
InChIKeyDCTNTBIEOCKTIL-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 732272) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID732272
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H10ClNO2S/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)17-10-6-2-3-7-11(10)18/h1-8,18H,(H,17,19)
InChIKeyDCTNTBIEOCKTIL-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376598
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376730
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376897
3,6-dichloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxy-phenyl]benzothiophene-2-carboxamide
CID 4112897
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 5012901
N-(2-hydroxy-5-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 44454621
3-chloro-N-[(4-hydroxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4474562
5-ethyl-N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24245146
N-(4-chlorophenyl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137518266
N-(4-chlorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518277
N-(3-chlorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 176182031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide (CID 732272) is 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is DCTNTBIEOCKTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-13-9-5-1-4-8-12(9)20-14(13)15(19)17-10-6-2-3-7-11(10)18/h1-8,18H,(H,17,19).
What are the key properties of 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 732272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).